[ CAS No. 3896-11-5 ] {[proInfo.proName]}

Name: 3896-11-5|2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol|97%
Brand: Ambeed
SKU: A150618
Price: 7.0 USD
Availability: InStock
Rating: 91 (25 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 3896-11-5 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 3896-11-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 3896-11-5 ]

SDS Specification

Alternatived Products of [ 3896-11-5 ]

Product Details of [ 3896-11-5 ]

CAS No. :	3896-11-5	MDL No. :	MFCD00059707
Formula :	C₁₇H₁₈ClN₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OCWYEMOEOGEQAN-UHFFFAOYSA-N
M.W :	315.80	Pubchem ID :	62531
Synonyms :

Calculated chemistry of [ 3896-11-5 ]

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	15
Fraction Csp3 :	0.29
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	90.13
TPSA :	50.94 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.7
Log Po/w (XLOGP3) :	5.64
Log Po/w (WLOGP) :	4.39
Log Po/w (MLOGP) :	3.27
Log Po/w (SILICOS-IT) :	3.83
Consensus Log Po/w :	4.17

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.72
Solubility :	0.000597 mg/ml ; 0.00000189 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.47
Solubility :	0.000106 mg/ml ; 0.000000336 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-5.85
Solubility :	0.000446 mg/ml ; 0.00000141 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.46

Safety of [ 3896-11-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P501	UN#:	N/A
Hazard Statements:	H315-H319-H413	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 3896-11-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 3896-11-5 ]
Downstream synthetic route of [ 3896-11-5 ]

[ 3896-11-5 ] Synthesis Path-Upstream 1~10

1
[ 22617-04-5 ]
[ 3896-11-5 ]

Reference： [1] Australian Journal of Chemistry, 1982, vol. 35, # 10, p. 2089 - 2093
[2] Patent: CN106008379, 2016, A,
[3] Patent: CN106749059, 2017, A, . Location in patent: Paragraph 0044-0071
[4] Patent: CN108148009, 2018, A,

2
[ 117-80-6 ]
[ 50-99-7 ]
[ 94102-12-2 ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
89.5%	With sodium hydroxide In methanol	Example 2 97percent sodium hydroxide (9.6 g) was added to methanol (100 ml), and was stirred at 65°C for 30 minutes. After cooling to 50°C, 2-nitro-4-chloro-2'-hydroxy-3'-t-butyl-5'-methylazobenzene (11.6 g) was added to the resultant mixture over 30 minutes, and thereafter 2,3-dichloro-1,4-naphthoquinone (0.7 g) was added. Glucose (8 g) was added to the resultant mixture at 40 to 45°C over one hour, and the mixture was stirred for one hour at 40 to 45°C. As a result, almost all of the azobenzenes disappeared to produce 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole-N-oxide. The system was heated, and was stirred at 64 to 67°C for two hours. As a result, the N-oxide disappeared. Thereafter, water (50 ml) was added to the reaction liquor, and the resultant reaction liquor was neutralized with 62percent sulfuric acid (11 g) to precipitate a crystal. The precipitated crystal was separated by filtration, and the separated crystal was fully washed with hot water of 60 to 70°C and further with a small amount of methanol. The washed crystal was then dried, thus obtaining 9.4 g of 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole having a melting point of 138 to 140°C at the yield of 89.5percent.

Reference： [1] Patent: EP257151, 1988, A1,

3
[ 94102-12-2 ]
[ 486-25-9 ]
[ 3896-11-5 ]

Reference： [1] Patent: US4780541, 1988, A,
[2] Patent: EP259530, 1988, A1,

4
[ 50-00-0 ]
[ 94102-12-2 ]
[ 64-17-5 ]
[ 90-44-8 ]
[ 3896-11-5 ]

Reference： [1] Patent: US4780541, 1988, A,
[2] Patent: EP259530, 1988, A1,

5
[ 2440-22-4 ]
[ 3896-11-5 ]

Reference： [1] Patent: US4220788, 1980, A,

6
[ 56750-11-9 ]
[ 3896-11-5 ]

Reference： [1] Australian Journal of Chemistry, 1982, vol. 35, # 10, p. 2089 - 2093

7
[ 22617-04-5 ]
[ 56750-11-9 ]
[ 3896-11-5 ]

Reference： [1] Synthesis, 1986, # 8, p. 647 - 649

8
[ 2409-55-4 ]
[ 3896-11-5 ]

Reference： [1] Australian Journal of Chemistry, 1982, vol. 35, # 10, p. 2089 - 2093

9
[ 89-63-4 ]
[ 3896-11-5 ]

Reference： [1] Australian Journal of Chemistry, 1982, vol. 35, # 10, p. 2089 - 2093

10
[ 22617-04-5 ]
[ 109969-10-0 ]
[ 56750-11-9 ]
[ 3896-11-5 ]

Reference： [1] Synthesis, 1986, # 8, p. 647 - 649
[2] Synthesis, 1986, # 8, p. 647 - 649

[ 3896-11-5 ] Synthesis Path-Downstream 1~45

1
[ 56750-11-9 ]
[ 3896-11-5 ]

Reference： [1]Australian Journal of Chemistry,1982,vol. 35,p. 2089 - 2093

2
[ 22617-04-5 ]
[ 109969-10-0 ]
[ 56750-11-9 ]
[ 3896-11-5 ]

Reference： [1]Synthesis,1986,p. 647 - 649
[2]Synthesis,1986,p. 647 - 649

3
[ 22617-04-5 ]
[ 56750-11-9 ]
[ 3896-11-5 ]

Reference： [1]Synthesis,1986,p. 647 - 649

4
[ 3896-11-5 ]
[ 23939-33-5 ]

Reference： [1]Australian Journal of Chemistry,1982,vol. 35,p. 2089 - 2093

5
[ 3896-11-5 ]
[ 22396-48-1 ]

Yield	Reaction Conditions	Operation in experiment
		Example 10: 2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-phenolTo a solution of 2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methyl-phenol (50.0 g, 158 mmol) in toluene (700 ml) aluminium trichloride (42.2 g, 317 mmol) is added at 80C and the reaction mixture is stirred for 30 minutes, cooled to room temperature and slowly poured on crushed ice. The aqueous phase is extracted with ethyl acetate. The organic layer is washed with water, dried over sodium sulphate, filtered and evaporated to dryness. The crude product is purified by column chromatography (ethyl acetate/heptane 1 :12) to yield 34.9 g of 2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-phenol.

Reference： [1]Australian Journal of Chemistry,1985,vol. 38,p. 1163 - 1176
[2]Patent: WO2011/86124,2011,A1 .Location in patent: Page/Page column 49

Yield	Reaction Conditions	Operation in experiment
92%		EXAMPLE 14 Example 1 is repeated, but with the difference that a mixture of 40 g of diethylenediamine and 60 g of xylene is used in place of 60 g of n-butylamine and 40 g of xylene. After working-up of the reaction mass as indicated in Example 1, the reaction product is crystallized from xylene/methanol. This gives the compound of Example 1 in a yield of 92% of theory.
		Example 4 The same process as in Example 3 was carried out except that, after the first reduction, 63 g of sulfuric acid (95%) were charged beforehand and then 34 g of zinc powder (96%) were added portionwise. The result was that almost the same yield of 2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-5-chloro-2H-benzotriazole as that of Example 3 was attained.
		Examples of the 2-(2'-hydroxyphenyl)benzotriazoles of group q) are 2-(2'-hydroxy-5'-methylphenyl)benzotriazole, 2-(3',5'-di-tert-butyl-2'-hydroxyphenyl)benzotriazole, 2-(5'-tert-butyl-2'-hydroxyphenyl)benzotriazole, 2-(2'-hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole, 2-(31,5'-di-tert-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole, 2-(3'-tert-butyl-2'-hydroxy-5'-methylphenyl)-5-chlorobenzotriazole, 2-(3'-sec-butyl-5'-tert-butyl-2'-hydroxyphenyl)benzotriazole, 2-(2'-hydroxy-4'-octyloxyphenyl)benzotriazole, 2-(3',5'-di-tert-amyl-2'-hydroxyphenyl)benzotriazole,

		2.1 Derivatives of 2-(2'-Hydroxyphenyl)benzotriazoles Such as, for Example: ... 2-(3',5'-di-t-butyl-2'-hydroxyphenyl)benzotriazole; 2-(5'-t-butyl-2'-hydroxyphenyl)benzotriazole; [2-(2'-hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole; 2-(3',5'-di-t-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole; 2-(3'-t-butyl-2'-hydroxy-5'-methylphenyl)-5-chlorobenzotriazole; 2-(3'-sec-butyl-5'-t-butyl-2'-hydroxyphenyl)benzotriazole; 2-(2'-hydroxy-4'-octyloxyphenyl)-benzotriazole; 2-(3',5'-di-t-amyl-2'-hydroxyphenyl)-benzotriazole; ...
		2.1 Derivatives of 2-(2'-hydroxyphenyl)benzotriazoles such as, for example: ... 2-(3',5'-di-t-butyl-2'-hydroxyphenyl)benzotriazole; 2-(5'-t-butyl-2'-hydroxyphenyl)benzotriazole; 2-[2'-hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole; 2-(3',5'-di-t-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole; 2-(3'-t-butyl-2'-hydroxy-5'-methylphenyl)-5-chlorobenzotriazole; 2-(3'-sec-butyl-5'-t-butyl-2'-hydroxyphenyl)benzotriazole; 2-(2'-hydroxy-4'-octyloxyphenyl)-benzotriazole; 2-(3',5'-di-t-amyl-2'-hydroxyphenyl)-benzotriazole; ...
		For the benzotriazole compounds of the formulae (7) and (8), the following may be mentioned by way of example: 2-(2'-hydroxy-5'-methylphenyl)benzotriazole, 2-(2'-hydroxy-5-tert-butylphenyl)benzotriazole, 2-(2'-hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole, 2-(2'-hydroxy-3'-5'-di-tert-butylphenyl)-5-chlorobenzotriazole, 2-(2'-hydroxy-5'-tert-octylphenyl)benzotriazole, 2-(2'-hydroxy-3'-acryloylamidomethyl-5'-methylphenyl)benzotriazole, 2-(2'-hydroxy-3'-acryloylamidomethyl-5'-benzylphenyl)benzotriazole, 2-(2'-hydroxy-3'-butoxacetamidomethyl-5'-benzylphenyl)benzotriazole, 2-(2'-hydroxy-3'5'-di-tert-amylphenyl)benzotriazole, and ...
		Typical examples of benzotriazole compounds obtained in the present invention are expressed by Formula I. Examples of such compounds include the following: 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole 2-(2'-hydroxy-3',5'-di-t-butylphenyl)-5-chlorobenzotriazole 2-(2'-hydroxy-3',5'-di-t-amylphenyl)benzotriazole 2-(2'-hydroxy-5'-methylphenyl)benzotriazole 2-(2'-hydroxy-5'-t-butylphenyl)benzotriazole 2-(2'-hydroxy-5't-octylphenyl)benzotriazole 2-(2'-hydroxy-3',5'-di-t-butylphenyl)benzotriazole 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)benzotriazole 2-(2',4'-dihydroxyphenyl)benzotriazole ...
		As examples of the benzotriazole-type ultraviolet absorber, the following can be mentioned but should not be considered limiting: 2-(2-hydroxy-5-methylphenyl)benzotriazol, 2-[2-hydroxy-3-(3,4,5,6-tetrahydrophthalimidomethyl)-5-methylphenyl]benzotriazol, 2-(3-t-butyl-2-hydroxy-5-methylphenyl)-5-chlorobenzotriazol, 2-(3,5-di-t-butyl-2-hydroxyphenyl)-5-chlorobenzotriazol, 2-(3,5-di-t-butyl-2-hydroxyphenyl)benzotriazol, 2-(3,5-di-t-amyl-2-hydroxyphenyl)benzotriazol, 2-(2-hydroxyphenyl-5-t-octylphenyl)benzotriazol, 2-[2-hydroxy-3,5-bis(alpha,alpha-dimethylbenzyl)phenyl]-2H-benzotriazol 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol], ...
		Examples of the ultraviolet absorber include the following: ... bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methane, 2,2',4,4'-tetrahydroxybenzophenone, 2-(2-hydroxy-5-methylphenyl)benzotriazole, 2-[2-hydroxy-3-(3,4,5,6-tetrahydrophthalimidemethyl)-5-methylphenyl]benzotriazole, 2-(3-t-butyl-2-hydroxy-5-methylphenyl)-5-chlorobenzotriazole, 2-(2-hydroxy-5-t-octylphenyl)benzotriazole, 2-(3,5-di-t-butyl-2-hydroxyphenyl)benzotriazole, 2-(3,5-di-t-amyl-2-hydroxyphenyl)benzotriazole, ...
		Typical of benzotriazole compounds obtained in the present invention are expressed by Formula I. Examples of such compounds include the following: 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole 2-(2'-hydroxy-3',5'-di-t-butylphenyl)-5-chlorobenzotriazole 2-(2'-hydroxy-3',5'-di-t-amylphenyl)benzotriazole 2-(2'-hydroxy-5'-methylphenyl)benzotriazole 2-(2'-hydroxy-5'-t-butylphenyl)benzotriazole 2-(2'-hydroxy-5'-t-octylphenyl)benzotriazole 2-(2'-hydroxy-3',5'-di-t-butylphenyl)benzotriazole 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)benzotriazole 2-(2',4'-dihydroxyphenyl)benzotriazole ...
		In the table, UVA-1 to UVA-5 are compounds shown below, and HA-1 to HA-9 are compounds shown in Table 1. UVA-1: 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole UVA-2: Bis(2,2,6,6-tetramethyl-4-piperidinyl)sebacate UVA-3: 4-Benzoyloxy-2,2,6,6-tetramethylpiperidine UVA-4: N-(2,2,6,6-tetramethyl-4-piperidinyl)iminodiacetic acid bis(2,2,6,6-tetramethylpiperidinyl)ester UVA-5: 2,2,6,6-Tetramethyl-4-piperidinylaminopropionic acid methyl ester
		Examples of stabiliser systems are: ... 2-(2-hydroxy-5-methylphenyl)-benzotriazole and 1-lauroylamino-2,2,6,6-tetramethyl-1-aza-4-thiacyclohexane-4,4-dioxide, 2-(2-hydroxy-3,5-di-tert.butylphenyl)-benzotriazole and 1-lauroylamino-2,2,6,6-tetramethyl-1-aza-4-thiacyclohexane-4,4-dioxide, 2-(2-hydroxy-3-tert.butyl-5-methylphenyl)-5-chlorobenzotriazole and 1-lauroylamino-2,2,6,6-tetramethyl-1-aza-4-thiacyclohexane-4,4-dioxide, 2-(2-hydroxy-3,5-di-tert.butylphenyl)-5-chlorobenzotriazole and 1-lauroylamino-2,2,6,6-tetramethyl-1-aza-4-thiacyclohexane-4,4-dioxide, ...
		The procedure of Example 1 is repeated while varying the starting compound and the following compounds are produced: a. 2-[2'-hydroxy-4',5'-di(tertbutyl)phenyl]-2H-benzotriazole. b. 2-[2'-hydroxy-3',5'-di(tertamyl)phenyl]-2H-benzothriazole c. 2-[2'-hydroxy-4'-tertbutylphenyl ]-2H-benzotriazole. d. 5-chloro-2-[2'-hydroxy-3'-tertbutyl-5'-methylphenyl]-2H-benzotriazole. e. 5-chloro-2-[2'-hydroxy-3',5'-di(tertbutyl)phenyl]-2H-benzotriazole.
		EXAMPLE 8 5-Chloro-2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-2H-benzotriazole When in Example 5, the 2-nitro-2'-hydroxy-3',5'-di-tert-amylazobenzene is replaced by an equivalent amount of 2-nitro-5-chloro-2'-hydroxy-3'-tert-butyl-5'-methylazobenzene and the 5% palladium on charcoal catalyst by a like amount of 5% rhodium on charcoal catalyst, the above noted product is obtained.

7
2-Nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methyl-azobenzene [ No CAS ]
[ 3896-11-5 ]

Reference： [1]Advanced Synthesis and Catalysis,2007,vol. 349,p. 1637 - 1640

8
[ 2409-55-4 ]
[ 3896-11-5 ]

Reference： [1]Australian Journal of Chemistry,1982,vol. 35,p. 2089 - 2093

9
[ 89-63-4 ]
[ 3896-11-5 ]

Reference： [1]Australian Journal of Chemistry,1982,vol. 35,p. 2089 - 2093

10
[ 22617-04-5 ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrazine hydrate; sodium hydroxide; In toluene; at 60℃; for 8.0h;	200.0 g of 2-nitro-4-chloro-2'-hydroxy-3'-t-butyl-5'-methylazobenzene, 11.5 g of sodium hydroxide,600.0g of toluene was stirred and mixed at a controlled temperature of 60 C,17.3g of water and hydrazine were added dropwise at a constant speed, the reaction was incubated for 6.0h after 2.0h of dropping time,The azo body content (HPLC) after the reaction was 0.4%The nitrogen oxide content (HPLC) was 95.4%.After the reaction was added to the industrial sulfuric acid and PH = 6 to 7, with 200ml washed 1 to 2 times,The oil phase is the nitrogen oxide solution.

Reference： [1]Australian Journal of Chemistry,1982,vol. 35,p. 2089 - 2093
[2]Patent: CN106008379,2016,A
[3]Patent: CN106749059,2017,A .Location in patent: Paragraph 0044-0071
[4]Patent: CN108148009,2018,A

11
[ 111-42-2 ]
[ 3896-11-5 ]
[ 368867-95-2 ]

Yield	Reaction Conditions	Operation in experiment
	In acetone;	EXAMPLE 9 Synthesis of 2-(2'-Hydroxy-3'-tert-butyl-5'-(bis(2-hydroxyethyl)aminomethyl)phenyl)-5-chlorobenzotriazole 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole (3.95 g, 0.01 mole), diethanol amine (3.14 g, 0.03 mole) were dissolved in 100 mL of acetone. The reaction mixture was refluxed with constant stirring at 80 C. for 6 h. The solvent was then removed by rotary evaporation. Crude product was purified using silica gel column chromatography. Product was identified by 1H-NMR.

Reference： [1]Patent: US2002/82428,2002,A1

12
[ 764-28-3 ]
[ 3896-11-5 ]
2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With azobisisobutyronitrile; nitrogen; In tetrachloromethane; bromine;	EXAMPLE 2 Synthesis of 2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole 2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole was prepared from the bromination of 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole using azobis isobutyronitrile (AIBN) as an initiator. In a 500 ml three-necked round bottomed flask, 7.042 g (0.0273 mole) 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole and 100 mg of AIBN were taken and dissolved in 150 ml of dry carbon tetrachloride. In a separate conical flask 4.18 g (1.5 ml, 0.03 mole) of bromine was dissolved in 75 ml of dry carbon tetrachloride and solution was transferred to a cylindrical funnel with pressure equalizing tube. Three-necked round-bottomed flask containing solution of 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole was kept in oil-bath with temperature 50 C. Nitrogen was bubbled through the solution for creating inert atmosphere. Cylindrical funnel containing bromine solution was mounted on the three-necked round-bottomed flask. Solution in the flask was continuously stirred with the help of magnetic stirrer. Bromine solution was added, drop-by-drop, from funnel to the flask for a span of 4-5 hours till all the solution was poured out. After that heating was stopped and the final reaction mixture was allowed to cool at room temperature. Product was separated by solvent evaporation. Finally the product was purified by recrystallization from acetone. The yield of 2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole was 7.2 g (81%).
	With azobisisobutyronitrile; nitrogen; In tetrachloromethane; bromine;	EXAMPLE 2 Synthesis of 2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole 2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole was prepared from the bromination of 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole using azobis isobutyronitrile (AIBN) as an initiator. In a 500 ml three-necked round bottomed flask, 7.042 g (0.0223 mole) 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole and 100 mg of AIBN were taken and dissolved in 150 ml of dry carbon tetrachloride. In a separate conical flask 4.18 g (1.5 ml, 0.03 mole) of bromine was dissolved in 75 ml of dry carbon tetrachloride and solution was transferred to a cylindrical funnel with pressure equalizing tube. Three-necked round-bottomed flask containing solution of 2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole was kept in oil-bath with temperature 50 C. Nitrogen was bubbled through the solution for creating inert atmosphere Cylindrical funnel containing bromine solution was mounted on the three-necked round-bottomed flask. Solution in the flask was continuously stirred with the help of magnetic stirrer. Bromine solution was added, drop-by-drop, from funnel to the flask for a span of 4-5 hours till all the solution was poured out. After that heating was stopped and the final reaction mixture was allowed to cool at room temperature Product was separated by solvent evaporation. Finally the product was purified by recrystallization from acetone. The yield of 2-(2'-Hydroxy-3'-tert-butyl-5'-bromomethylphenyl)-5-chlorobenzotriazole was 7.2 g (81%).

Reference： [1]Patent: US2002/82428,2002,A1
[2]Patent: US6307055,2001,B1

13
[ 50-00-0 ]
[ 94102-12-2 ]
[ 64-17-5 ]
[ 90-44-8 ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In water;	EXAMPLE 14 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide 16.6 g was added to a mixture of ethyl alcohol 80 ml, water 10 ml and 95% potassium hydroxide 17.7 g, and the resultant mixture was stirred at 80 C. for 30 minutes, then having been cooled to 65 C. After adding anthrone 1.4 g to the resultant mixture, 35% formalin 6.5 g was added to the mixture by dropwise for 30 minutes, and the resultant mixture was stirred at 65 to 70 C. for 1 hour, and further at the boiling point (87 C.) for 10 hours, thus 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenotriazole-N-oxide having disappeared to complete the reduction reaction. Thereafter, water 50 ml was slowly added to the reaction liquor, and the reaction liquor was neutralized with 62.5% sulfuric acid 12 g to precipitate a crystal. The crystal thus obtained was filtered by suction to separate the crystal, and the separated crystal was fully washed with water and further with ethyl alcohol. The washed crystal was then dried, thus producing 14.5 g of 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole having a melting point of 138 to 140 C. at the yield of 92.0%.
	With potassium hydroxide; In water;	Example 14 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide (16.6 g) was added to a mixture of ethyl alcohol (80 ml), water (10 ml) and 95% potassium hydroxide (17.7 g), and the resultant mixture was stirred at 80C for 30 minutes, then cooled to 65C. After adding anthrone (1.4 g) to the resultant mixture, 35 % formalin (6.5 g) was added to the mixture dropwise for 30 minutes, and the resultant mixture was stirred at 65 to 70C for 1 hour, and further at the boiling point (87C) for 10 hours; 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide disappeared, to complete the reduction reaction. Thereafter, water (50 ml) was slowly added to the reaction liquor, and the reaction liquor was neutralized with 62.5 % sulfuric acid (12 g) to precipitate a crystal. The crystal thus obtained was filtered by suction to separate the crystal, and the separated crystal was fully washed with water and further with ethyl alcohol. The washed crystal was then dried, thus producing 14.5 g of 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole having a melting point of 138 to 140C at the yield of 92.0 %.

Reference： [1]Patent: US4780541,1988,A
[2]Patent: EP259530,1988,A1

14
[ 94102-12-2 ]
[ 486-25-9 ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; paraformaldehyde; In methanol; water;	EXAMPLE 12 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide 16.6 g was added to a mixture of methanol 72 ml, water 20 ml and 97% sodium hydroxide 12.4 g, and the resultant mixture was stirred at 70 C. for 30 minutes, then having been cooled to 65 C. After adding 9-fluorenone 0.8 g to the resultant mixture, 80% paraformaldehyde 2.5 g was added to the mixture for 30 minutes, and the resultant mixture was stirred at 60 to 70 C. for 1 hour, and further at the boiling point (73 C.) for 4 hours, thus 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide having disappeared to complete the reduction reaction. Thereafter, water 50 ml was added to the reaction liquor by dropwise at 65 to 70 C., and then reaction liquor was neutralized with 62.5% sulfuric acid 12 g to precipitate a crystal. The crystal thus obtained was filtered by suction to separate the crystal, and the separated crystal was fully washed with water and further with methanol. The washed crystal was then dried, thus producing 14.7 g of 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole having a melting point of 138 to 140 C. at the yield of 93.0%.
	With sodium hydroxide; paraformaldehyde; In methanol; water;	Example 12 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide (16.6 g) was added to a mixture of methanol (72 ml), water (20 ml) and 97% sodium hydroxide (12.4 g), and the resultant mixture was stirred at 70C for 30 minutes, then cooled to 65C. After adding 9-fluorenone (0.8 g) to the resultant mixture, 80 % paraformaldehyde (2.5 g) was added to the mixture for 30 minutes, and the resultant mixture was stirred at 60 to 70C for 1 hour, and further at the boiling point (73 C for 4 hours; 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole-N-oxide disappeared, to complete the reduction reaction. Thereafter, water (50 ml) was added to the reaction liquor by dropwise at 65 to 70C, and the reaction liquor was neutralized with 62.5 % sulfuric acid (12 g) to precipitate a crystal. The crystal thus obtained was filtered by suction to separate the crystal, and the separated crystal was fully washed with water and further with methanol. The washed crystal was then dried, thus producing 14.7 g of 2-(2-hydroxy-3-t-butyl-5-methylphenyl)-5-chlorobenzotriazole having a melting point of 138 to 140C at the yield of 93.0 %.

Reference： [1]Patent: US4780541,1988,A
[2]Patent: EP259530,1988,A1

15
2-Nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methyl-azobenzene [ No CAS ]
Cu-II-acetylacetonate [ No CAS ]
[ 2440-22-4 ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
70%		EXAMPLE 8 2-Nitro-4-chloro-2'-hydroxy-3'-tert.-butyl-5'-methyl-azobenzene is reacted, according to Example 2, with Cu-II-acetylacetonate to give 2-(2'-hydroxy-3'-tert.-butyl-5'-methyl-phenyl)-5-chlorobenzotriazole; the yield is 70% of theory.

Reference： [1]Patent: US4220788,1980,A

16
[ 117-80-6 ]
2-Nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methyl-azobenzene [ No CAS ]
[ 50-99-7 ]
[ 94102-12-2 ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
89.5%	With sodium hydroxide; In methanol;	Example 2 97% sodium hydroxide (9.6 g) was added to methanol (100 ml), and was stirred at 65C for 30 minutes. After cooling to 50C, 2-nitro-4-chloro-2'-hydroxy-3'-t-butyl-5'-methylazobenzene (11.6 g) was added to the resultant mixture over 30 minutes, and thereafter 2,3-dichloro-1,4-naphthoquinone (0.7 g) was added. Glucose (8 g) was added to the resultant mixture at 40 to 45C over one hour, and the mixture was stirred for one hour at 40 to 45C. As a result, almost all of the azobenzenes disappeared to produce 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole-N-oxide. The system was heated, and was stirred at 64 to 67C for two hours. As a result, the N-oxide disappeared. Thereafter, water (50 ml) was added to the reaction liquor, and the resultant reaction liquor was neutralized with 62% sulfuric acid (11 g) to precipitate a crystal. The precipitated crystal was separated by filtration, and the separated crystal was fully washed with hot water of 60 to 70C and further with a small amount of methanol. The washed crystal was then dried, thus obtaining 9.4 g of 2-(2'-hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole having a melting point of 138 to 140C at the yield of 89.5%.

Reference： [1]Patent: EP257151,1988,A1

17
[ 75-24-1 ]
[ 3896-11-5 ]
[ 108-95-2 ]
[Al(OPh)(2-tert-butyl-6-(5-chloro-2H-benzo[d][1,2,3] triazol-2-yl)-4-methylphenol(-1H))2] [ No CAS ]

Reference： [1]Organometallics,2010,vol. 29,p. 347 - 353

18
[ 92-69-3 ]
[ 75-24-1 ]
[ 3896-11-5 ]
[ 1206697-24-6 ]

Reference： [1]Organometallics,2010,vol. 29,p. 347 - 353

19
[ 3896-11-5 ]
[ 1314118-46-1 ]

Reference： [1]Patent: WO2011/86124,2011,A1

20
[ 3896-11-5 ]
[ 1314118-47-2 ]

Reference： [1]Patent: WO2011/86124,2011,A1

21
[ 3896-11-5 ]
[ 1314118-48-3 ]

Reference： [1]Patent: WO2011/86124,2011,A1

22
[ 546-68-9 ]
[ 3896-11-5 ]
[(2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenolate)₂Ti(OⁱPr)₂] [ No CAS ]

Reference： [1]Organometallics,2013,vol. 32,p. 172 - 180

23
[ 6046-93-1 ]
[ 3896-11-5 ]
[ 1472063-82-3 ]

Reference： [1]Journal of Polymer Science, Part A: Polymer Chemistry,2013,vol. 51,p. 3840 - 3849

24
[ 14314-61-5 ]
[ 3896-11-5 ]
[aluminium(III)(2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenolato)2(NMe₂)] [ No CAS ]

Reference： [1]Dalton Transactions,2013,vol. 42,p. 11488 - 11496

25
[ 1070655-38-7 ]
[ 3896-11-5 ]
[(2-tertbutyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol)₂Hf(OiPr)₂] [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2014,p. 1239 - 1248

26
[ 1070655-38-7 ]
[ 3896-11-5 ]
[(2-tertbutyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol)₂Hf(OiPr)₂] [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2014,vol. 2014,p. 1239 - 1248

27
[ 3896-11-5 ]
[ 52918-63-5 ]

Yield	Reaction Conditions	Operation in experiment
		Pure polypropylene beads (Basell, PP Metocene HM 562 S) were compared with polypropylene beads (Basell, PP Metocene HM 562 S) comprising 11 wt % Deltamethrin and 2 wt % Bumetrizole with the ASTM D 1929 test method.

Reference： [1]Patent: US2015/274932,2015,A1

28
C₁₇H₁₈ClN₃O₂ [ No CAS ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
92.1%	With platinum on activated charcoal; hydrogen; at 50 - 75℃; under 3750.38 - 6000.6 Torr;Autoclave;	Step 3: The intermediate nitrogen oxide solution of formula II obtained in step 2 is transferred to an autoclave, Pt / C catalyst is introduced and hydrogen gas is introduced; the reaction temperature is controlled at 50-65 DEG C and the hydrogen pressure is adjusted to 0.5 to 0.8 MPa (constant), when the hydrogen absorption amount is lower than 0.05MPa / min, and the temperature is raised to 75 DEG C for 0.5 to 3 hours, the hydrogen reduction reaction is completed; Step 4: The mixed solution obtained in Step 3 is filtered to remove the catalyst,Reducing the temperature of the reducing liquid to 5-10 DEG C to precipitate the solid, separating the aqueous phase and adjusting the pH to 8.5-9.5,Precipitating a solid; combining the two solids to give a crude product of the trisazolyl type ultraviolet absorber of formula III;Step 5: A portion of the second solvent was added to the crude product obtained in Step 4,Heating to 50 to 75 DEG C and holding for 0.5 to 2 hours,Keeping and slowly adding the remaining second solvent to the system near the dissolution or just clear (visual),The filtrate was cooled to 0 to 10 C after hot filtration, and the precipitated solid was collected,To obtain a benzotriazole-based light stabilizer of high purity as shown in Formula III;

Reference： [1]Patent: CN106008379,2016,A .Location in patent: Paragraph 0021; 0024

29
[ 1191-43-1 ]
[ 3896-11-5 ]
C₄₀H₄₈N₆O₂S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 130℃; for 12.0h;	Synthesis of Compound 21 (0467)(0468) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (10.0 g, 31.7 mmol), hexanedithiol (4.76 g, 31.7 mmol), potassium carbonate (8.75 g, 63.3 mmol), and potassium iodide (0.37 g, 2.2 mmol) were allowed to react for 12 hours at 130 C. in 50 mL of DMF. After completion of the reaction, toluene was added thereto, and the reaction liquid was subjected to washing with water, distillation of the solvent, and recrystallization. Thus, Compound 21 was obtained. (0469) FT-IR (KBr): 3009 cm-1: O-H stretching vibration, 1431, 1391 cm-1: triazole ring stretching vibration, 656 cm-1: C-S stretching vibration (0470) 1H-NMR (CDCl3 400 MHz): delta 1.49 (s, 18H, (-Ph-OH-CH3-C(CH3)3)2), 1.55 (m, 4H, -S-CH2CH2CH2CH2CH2CH2-S-), 1.77 (m, 4H, -S-CH2CH2CH2CH2CH2CH2-S-), 2.38 (s, 6H, (-Ph-OH-CH3-C(CH3)3)2), 3.04 (t, 4H, -S-CH2CH2CH2CH2CH2CH2-S-), 7.16 (s, 2H), 7.37 (d, 2H), 7.70 (s, 2H), 7.81 (d, 2H), 8.05 (s, 2H) (insg. 10arom. CH), 11.60 (s, 2H, -Ph-OH-CH3-C(CH3)3) (0471) 13C-NMR (CDCl3 400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3)2, 28.4 (-Ph-OH-CH3-C(CH3)3)2, 28.6 (-S-CH2CH2CH2CH2CH2CH2-S-), 29.5 (-Ph-OH-CH3-C(CH3)3)2, 33.1 (-S-CH2CH2CH2CH2CH2CH2-S-), 35.4 (-S-CH2CH2CH2CH2CH2CH2-S-), 113.7, 117.6, 119.3, 128.3, 129.3 (CHarom), 141.2, 143.4 (Carom), 125.4 (Carom-N), 128.3 (Carom-CH3), 137.7 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 130℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (10.0 g, 31.7 mmol), hexane dithiol (4.76 g, 31.7 mmol), potassium carbonate (8.75 g, 63.3 mmol) and potassium iodide (0.37 g, 2.2 mmol) were reacted in 50 mL of DMF for 12 hours at 130 C. Upon the completion of the reaction, toluene was added to the reaction solution, and according to washing, removal of solvent by distillation, and recrystallization, the compound 5 was obtained. FT-IR (KBr): 3009 cm-1; O-H stretching vibration 1431, 1391 cm-1; triazole ring stretching vibration 656 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta1.49 (s, 18H, (-Ph-OH-CH3-C(CH3)3)2), 1.55 (m, 4H, -S-CH2CH2CH2CH2CH2CH2-S-), 1.77 (m, 4H, -S-CH2CH2CH2CH2CH2CH2-S-), 2.38(s, 6H. (-Ph-OH-CH3-C(CH3)3)2), 3.04 (t, 4H, -S-CH2CH2CH2CH2CH2CH2-S-), 7.16 (s, 2H), 7.37 (d, 2H), 7.70 (s, 2H), 7.81 (d, 2H), 8.05 (s, 2H) (insg.10arom. CH), 11.60 (s, 2H, (-Ph-OH-CH3-C(CH)3)3)2) 13C-NMR (CDCl3 400 MHz): delta20.9 (-Ph-OH-CH3-C(CH3)3)2, 28.4 (-Ph-OH-CH3-C(CH3)3)2, 28.6 (-S-CH2CH2C2CH2CH2CH2-S-), 29.5 (-Ph-OH-CH3-C(CH3)3)2, 33.1 (-S-CH2CH2CH2CH2CH2CH2-S-), 35.4 (-S-CH2CH2CH2CH2CH2CH2-S-) 113.7, 117.6, 119.3, 128.3, 129.3, (CHarom), 141.2, 143.4 (Carom), 125.4 (Carom-N), 128.3 (Carom-CH3), 137.7 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0467; 0468; 0469; 0470; 0471
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0127; 0128; 0129; 0130; 0131

30
[ 870-23-5 ]
[ 3896-11-5 ]
C₂₀H₂₃N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis of Compound 17 (0447) (0448) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.0 g, 0.158 mol), allylmercaptan (23.5 g, 0.317 mol), potassium carbonate (48.1 g, 0.348 mol), and potassium iodide (1.8 g, 0.011 mol) were allowed to react for 12 hours at 125 C. in 125 g of DMF. After completion of the reaction, the reaction liquid was subjected to pH adjustment, filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 17 was obtained. (0449) FT-IR (KBr): 3092 cm-1: O-H stretching vibration, 2999 cm-1: ?C-H stretching vibration, 1449, 1390 cm-1: triazole ring stretching vibration, 664 cm-1: C-S stretching vibration (0450) 1H-NMR (CDCl3 400 MHz): delta 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 1.55 (m, 2H, CH2?CHCH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.38 (m, 1H, CH2?CHCH2-S), 3.78 (m, 1H, CH2?CHCH2-S), 4.23 (m, 1H, CH2?CHCH2-S), 7.16 (s, 1H), 7.31 (d, 1H), 7.71 (s, 1H), 7.73 (d, 1H), 8.05 (d, 1H), (insg. 5arom. CH), 11.66 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0451) 13C-NMR (CDCl3 400 MHz): delta 21.0 (-Ph-OH-CH3-C(CH3)3), 22.5 (CH2?CHCH2-S), 29.6 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 41.8 (CH2?CHCH2-S), 46.3 (CH2?CHCH2-S), 116.7, 119.3, 123.3, 128.2, 128.6 (CHarom), 140.8, 141.7 (Carom), 125.4 (Carom-N), 124.1 (Carom-CH3), 140.7 (Carom-S), 139.0 (Carom-C(CH3)3), 146.6 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.0 g, 0.158 mol), allyl mercaptan (23.5 g, 0.317 mol), potassium carbonate (48.1 g, 0.348 mol), and potassium iodide (1.8 g, 0.011 mol) were reacted in 125 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 11 was obtained. FT-IR (KBr): 3092 cm-11; O-H stretching vibration 2999 cm-1; ?C-H stretching vibration 1449, 1390 cm-1; triazole ring stretching vibration 664 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3) 1.55 (m, 2H, CH2?CHCH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.38 (m, 1H, CH2?CHCH2-S), 3.78 (m, 1H, CH2?CHCH2-S), 4.23 (m, 1H, CH2?CHCH2-S), 7.16 (s, 1H), 7.31 (d, 1H), 7.71 (s, 1H), 7.73 (d, 1H), 8.05 (d, 1H), (insg.5arom. CH), 11.66 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 21.0 (-Ph-OH-CH3-C(CH3)3), 22.5 (CH2?CHCH2-S), 29.6 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 41.8 (CH2?CHCH2-S), 46.3 (CH2?CHCH2-S), 116.7, 119.3, 123.3, 128.2, 128.6 (CHarom), 140.8, 141.7 (Carom), 125.4 (Carom-N), 124.1 (Carom-CH3), 140.7 (Carom-S), 139.0 (Carom-C(CH3)3), 146.6 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0447; 0448; 0449; 0450; 0451
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0156; 0157; 0158; 0159; 0160

31
[ 106-45-6 ]
[ 3896-11-5 ]
C₂₄H₂₅N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis of Compound 18 (0452) (0453) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (25.0 g, 79.2 mmol), p-toluenethiol (19.7 g, 158.3 mmol), potassium carbonate (24.1, 174.2 mmol), and potassium iodide (0.92 g, 5.54 mmol) were allowed to react for 12 hours at 125 C. in 62.5 g of DMF. After completion of the reaction, the pH was adjusted, subsequently the reaction liquid was subjected to filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 18 was obtained. (0454) FT-IR (KBr): 3000 cm-1: O-H stretching vibration, 1444, 1389 cm-1: triazole ring stretching vibration, 667 cm-1: C-S stretching vibration (0455) 1H-NMR (CDCl3400 MHz): delta 1.48 (s, 9H, -Ph-OH-CH3-C(CH3)3), 2.37 (s, 3H, -Ph-OH-CH3-C(CH3)3), 2.40 (s, 3H, CH3-Ph-S-), 7.16 (s, 1H), 7.23 (s, 2H), 7.32 (d, 1H), 7.43 (s, 2H), 7.56 (s, 1H), 7.81 (d, 1H), 8.02 (d, 1H), (insg. 9arom. CH), 11.56 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0456) 13C-NMR (CDCl3400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3), 21.2 (CH3-Ph-S-), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 115.3, 117.8, 119.3, 128.7, 129.3 130.5, 133.7 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.9 (Carom-S), 138.7 (S-Carom), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (25.0 g, 79.2 mmol), p-toluene thiol (19.7 g, 158.3 mmol), potassium carbonate (24.1, 174.2 mmol), and potassium iodide (0.92 g. 5.54 mmol) were reacted in 62.5 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 12 was obtained. FT-IR (KBr); 3000 cm-1; O-H stretching vibration 1444, 1389 cm-1; triazole ring stretching vibration 667 cm-1; C-S stretching vibration 1H-NMR (CDCl3400 MHz): delta1.48 (s, 9H, -Ph-OH-CH3-C(CH3)3), 2.37 (s, 3H, -Ph-OH-CH3-C(CH3)3), 2.40 (s, 3H, CH3-Ph-S-), 7.16 (s, 1H), 7.23 (s, 2H), 7.32 (d, 1H), 7.43 (s, 2H), 7.56 (s, 1H), 7.81 (d, 1H), 8.02 (d, 1H), (insg.9arom, CH), 11.56 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3400 MHz): delta20.9 (-Ph-OH-CH3-C(CH3)3), 21.2 (CH3-Ph-S-), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 115.3, 117.8, 119.3, 128.7, 129.3 130.5, 133.7(CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.9 (Carom-S), 138.7 (S-Carom), 139.1 (Carom-C(CH3)3), 146.7(Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0452; 0453; 0454; 0455; 0456
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0161; 0162; 0163; 0164; 0165

32
[ 100-53-8 ]
[ 3896-11-5 ]
5-benzylthio-2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-2H-benzotriazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 9.0h;	Synthesis of Compound 19 (0457) (0458) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (20.0 g, 63.3 mmol), benzylmercaptan (15.7 g, 126.6 mmol), potassium carbonate (19.3 g, 139.4 mmol), and potassium iodide (0.74 g, 4.5 mmol) were allowed to react for 9 hours at 125 C. in 50.0 g of DMF. After completion of the reaction, the pH was adjusted, subsequently the reaction liquid was subjected to filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 19 was obtained. (0459) FT-IR (KBr): 2960 cm-1: O-H stretching vibration, 1441, 1392 cm-1: triazole ring stretching vibration, 664 cm-1: C-S stretching vibration (0460) 1H-NMR (CDCl3400 MHz): delta 1.49 (s, 9H, -Ph-OH-CH3-C(CH3)3), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 4.24 (s, 2H, Ph-CH2-S-), 7.16 (s, 1H), 7.267.38 (m, 6H), 7.72 (s, 1H), 7.80 (d, 1H), 8.04 (d, 1H), (insg. 10arom. CH), 11.58 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0461) 13C-NMR (CDCl3400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 38.6 (Ph-CH2-S-), 115.4, 117.6, 119.3, 128.7, 128.8, 128.8, 129.7, 137.0 (CHarom), 125.4, 141.4, 143.4 (Carom), 128.3 (Carom-CH3), 136.5 (CaromCH2-S-), 138.7 (S-Carom), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 9.0h;	2-(2-Hdroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (20.0 g, 63.3 mmol), benzyl mercaptan (15.7 g, 126.6 mmol), potassium carbonate (19.3 g, 139.4 mmol), and potassium iodide (0.74 g 4.5 mmol) were reacted in 50.0 g of DMF for 9 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 13 was obtained. FT-IR (KBr): 2960 cm-1; O-H stretching vibration 1441, 1392 cm-1; triazole ring stretching vibration 664 cm-1; C-S stretching vibration 1H-NMR (CDCl3400 MHz): delta1.49 (s, 9H, -Ph-OH-CH3-C(CH3)3), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 4.24 (s, 2H, Ph-CH2-S-), 7.16 (s, 1H), 7.267.38 (m, 6H), 7.72 (s, 1H), 7.80 (d, 1H), 8.04 (d, 1H), (insg.10arom. CH), 11.58 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3400 MHz): delta20.9 (-Ph-OH-CH3-C(CH3)3), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 38.6 (Ph-CH2-S-), 115.4, 117.6, 119.3, 128.7, 128.8, 128.8, 129.7, 137.0(CHarom), 125.4, 141.4, 143.4 (Carom), 128.3 (Carom-CH3), 136.5 (Carom CH2-S-), 138.7 (S-Carom), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0457; 0458; 0459; 0460; 0461
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0166; 0167; 0168; 0169; 0170

33
[ 1569-69-3 ]
[ 3896-11-5 ]
C₂₃H₂₉N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis of Compound 16 (0442)(0443) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (32.3 g, 0.102 mol), cyclohexanethiol (23.8 g, 0.205 mol), potassium carbonate (31.1 g, 0.225 mol), and potassium iodide (1.2 g, 0.007 mol) were allowed to react for 12 hours at 125 C. in 100 g of DMF. After completion of the reaction, the reaction liquid was subjected to pH adjustment, filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 16 was obtained. (0444) FT-IR (KBr): 2930 cm-1: O-H stretching vibration, 1450, 1391 cm-1: triazole ring stretching vibration, 667 cm-1: C-S stretching vibration (0445) 1H-NMR (CDCl3 400 MHz): delta 1.40 (m, 4H, CH2(CH2)2(CH2)2CH-S), 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 1.54 (m, 2H, CH2(CH2)2(CH2)2CH-S), 1.83 (m, 2H, CH2(CH2)2CH2CH2CH-S), 2.06 (m, 2H, CH2(CH2)2CH2CH2CH-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.29 (m, 1H, CH2CH2CH2CH-S), 7.17 (s, 1H), 7.43 (d, 1H), 7.80 (s, 1H), 7.84 (d, 1H), 8.06 (d, 1H), (insg. 5arom. CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0446) 13C-NMR (CDCl3 400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3), 25.7 (CH2(CH2)2(CH2)2CH-S), 26.0 (CH2(CH2)2(CH2)2CH-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 33.1 (CH2(CH2)2(CH2)2CH-S), 35.4 (-Ph-OH-CH3-C(CH3)3), 46.3 (CH2(CH2)2(CH2)2CH-S), 117.2, 117.5, 119.3, 128.3, 128.8 (CHarom), 141.5, 143.2 (Carom), 125.4 (Carom-N), 131.2 (Carom-CH3), 136.1 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0442; 0443; 0444; 0445; 0446

34
[ 111-88-6 ]
[ 3896-11-5 ]
C₂₅H₃₅N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 150℃; for 20.0h;	Synthesis of Compound 8 (0402)(0403)2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (5.00 g, 15.8 mmol), octanethiol (7.63 g, 52.1 mmol), potassium carbonate (7.20 g, 52.1 mmol), and potassium iodide (0.18 g, 1.1 mmol) were allowed to react for 20 hours at 150 C. in 50 m of DMF. After completion of the reaction, toluene was added thereto, and the mixture was subjected to washing with water, distillation of the solvent, and purification using a column. Thus, Compound 8 was obtained. (0404) FT-IR (KBr): 3125 cm-1: O-H stretching vibration, 1438, 1391 cm-1: triazole ring stretching vibration, 661 cm-1: C-S stretching vibration (0405)1H-NMR (CDCl3 400 MHz): delta 0.88 (t, 3H, CH3(CH2)7-S), 1.27 (m, 8H, CH3 (CH2)4(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3(CH2)4CH2(CH2)2-S), 1.75 (quin, 2H, CH3(CH2)5CH2CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.03 (t, 2H, CH3(CH2)5CH2CH2-S), 7.16 (s, 1H), 7.37 (d, 1H), 7.70 (s, 1H), 7.81 (d, 1H), 8.05 (s, 1H), (insg. 5arom. CH), 11.61 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0406) 13C-NMR (CDCl3 400 MHz): delta 14.0 (CH3(CH2)7-S), 20.0 (-Ph-OH-CH3-C(CH3)3), 22.6 (-Ph-OH-CH3-C(CH3)3), 28.7 (CH3(CH2)5CH2CH2-S), 31.9 (-Ph-OH-CH3-C(CH3)3), 33.2 (CH3(CH2)5CH2CH2-S), 35.4 (CH3(CH2)5CH2CH2-S), 113.6, 117.5, 119.3, 128.7, 129.3 (CHarom), 141.2, 143.4 (Carom), 125.4 (Carom-N), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 150℃; for 20.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (5.00 g, 15.8 mmol), 5 octane thiol (7.63 g, 52.1 mmol), 6 potassium carbonate (7.20 g, 52.1 mmol) and 7 potassium iodide (0.18 g, 1.1 mmol) were reacted in 50 ml of 8 DMF for 20 hours at 150 C. Upon the completion of the reaction, 9 toluene was added, and according to washing, removal of solvent by distillation, and column purification, the compound 10 1 was obtained. FT-IR (KBr): 3125 cm-1; O-H stretching vibration 1438, 1391 cm-1; triazole ring stretching vibration 661 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 0.88 (t, 3H, CH3(CH2)7-S), 1.27 (m, 8H, CH3 (CH2)4(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3(CH2)4 CH2(CH2)2-S), 1.75 (quin, 2H, CH3 (CH2)5 CH2CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.03 (t, 2H, CH3 (CH2)5CH2CH2-S), 7.16 (s, 1H), 7.37 (d, 1H), 7.70 (s, 1H), 7.81 (d, 1H), 8.05 (s, 1H), (insg.5arom. CH), 11.61 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 14.0 (CH3(CH2)7-S), 20.0 (-Ph-OH-CH3-C(CH3)3), 22.6 (-Ph-OH-CH3-C(CH3)3), 28.7 (CH3(CH2)5CH2 CH2-S), 31.9 (-Ph-OH-CH3-C(CH3)3), 33.2 (CH3(CH2)5CH2CH2-S), 35.4 (CH3(CH2)5CH2CH2-S), 113.6. 117.5, 119.3, 128.7, 129.3 (CHarom), 141.2, 143.4 (Carom), 125 .4 (Carom-N), 128.3 (Carom-CH3), 138.0(Carom-S), 139.1(Carom-C(CH3)3), 146.7(Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0402; 0403; 0404; 0405; 0406
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0104; 0105; 0106; 0107; 0108

35
[ 3896-11-5 ]
[ 60-24-2 ]
C₁₉H₂₃N₃O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis Example 27> Synthesis of Compound 20 (0462) (0463) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.5 g, 0.160 mol), 2-mercaptoethanol (25.0 g, 0.320 mol), potassium carbonate (48.6 g, 0.352 mol), and potassium iodide (1.9 g, 0.011 mol) were allowed to react for 12 hours at 125 C. in 125 g of DMF. After completion of the reaction, the reaction liquid was subjected to pH adjustment, filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, compound 20 was obtained. (0464) FT-IR (KBr): 3350 cm-1: O-H stretching vibration, 1437, 1392 cm-1: triazole ring stretching vibration, 666 cm-1: C-S stretching vibration (0465) 1H-NMR (CDCl3 400 MHz): delta 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 2.38 (5, 3H, -Ph-OH-CH3-C(CH3)3), 2.79 (t, 2H, HOCH2CH2-S), 3.25 (t, 2H, HOCH2CH2-S), 7.17 (s, 1H), 7.41 (d, 1H), 7.83 (s, 1H), 7.84 (d, 1H), 8.05 (d, 1H), (insg. 5arom. CH), 11.56 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0466) 13C-NMR (CDCl3 400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 36.8 (HOCH2CH2-S), 60.3 (HOCH2CH2-S), 115.8, 118.0, 119.3, 128.4, 129.7 (CHarom), 141.5, 143.2 (Carom), 125.3 (Carom-N), 128.9 (Carom-CH3), 135.7 (Carom-S), 139.2 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0462; 0463; 0464; 0465; 0466

36
[ 111-31-9 ]
[ 3896-11-5 ]
C₂₃H₃₁N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis Example 14> Synthesis of Compound 7 (0397) (0398)2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.0 g, 0.158 mol), hexanethiol (37.4 g, 0.316 mol), potassium carbonate (48.1 g, 0.348 mol), and potassium iodide (1.8 g, 0.011 mol) were allowed to react for 12 hours at 125 C. in 125 g of DMF. After completion of the reaction, the pH was adjusted, subsequently the reaction liquid was subjected to filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 7 was obtained. (0399) FT-IR (KBr): 2956 cm-1: O-H stretching vibration, 1445, 1392 cm-1: triazole ring stretching vibration, 662 cm-1: C-S stretching vibration (0400) 1H-NMR (CDCl3 400 MHz): delta 0.89 (t, 3H, CH3(CH2)5-S), 1.33 (m, 4H, CH3 (CH2)2(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3(CH2)2CH2(CH2)2-S), 1.73 (quin, 2H, CH3(CH2)3CH2CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.02 (t, 2H, CH3(CH2)3CH2CH2-S), 7.16 (s, 1H), 7.36 (d, 1H), 7.69 (s, 1H), 7.78 (d, 1H), 8.04 (s, 1H), (insg. 5arom. CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0401) 13C-NMR (CDCl3 400 MHz): delta 14.0 (CH3(CH2)5-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 22.6 (CH3CH2(CH2)3CH2-S), 28.7 (CH3CH2 (CH2)2CH2CH2-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 31.8 (-Ph-OH-CH3-C(CH3)3), 33.8 (CH3(CH2)3CH2CH2-S), 35.4 (CH3(CH2)3CH2CH2-S), 113.6, 117.5, 119.3, 128.7, 129.2 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.0 g, 0.158 mol), hexane thiol (37.4 g, 0.316 mol), potassium carbonate (48.1 g, 0.348 mol), and potassium iodide (1.8 g, 0.011 mol) were reacted in 125 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 7 was obtained. FT-IR (KBr): 2956 cm-1; O-H stretching vibration 1445, 1392 cm-1; triazole ring stretching vibration 662 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 0.89 (t, 3H, CH3(CH2)5-S) 1.33 (m 4H, CH3 (CH2)2(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3(CH2)2 CH2(CH2)2-S), 1.73 (quin, 2H, CH3 (CH2)3 CH2CH2-S), 2,38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.02 (t, 2H, CH3 (CH2)3CH2CH2-S), 7.16 (s, 1H), 7.36 (d, 1H), 7.69 (s, 1H), 7.78 (d, 1H), 8.04 (s, 1H), (insg.5arom. CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 14.0 (CH3(CH2)5-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 22.6 (CH3CH2(CH2)3CH2--S), 28.7 (CH3 CH2 (CH2)2 CH2CH2CH2-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 31.8 (-Ph-OH-CH3-C(CH3)3), 33.8 (CH3(CH2)3CH2CH2-S), 35.4 (CH3(CH2)3CH2CH2-S), 113.6, 117.5, 119.3, 128.7, 129.2 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0397; 0398; 0399; 0400; 0401
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0136; 0137; 0138; 0139; 0140

37
[ 109-79-5 ]
[ 3896-11-5 ]
C₂₁H₂₇N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis Example 13> Synthesis of Compound 6 (0392)(0393) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (60.0 g, 0.190 mol), butanethiol (34.3 g, 0.380 mol), potassium carbonate (57.8 g, 0.418 mol), and potassium iodide (2.21 g, 0.013 mol) were allowed to react for 12 hours at 125 C. in 150 g of DMF. After completion of the reaction, the pH was adjusted, subsequently the reaction liquid was subjected to filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 6 was obtained. (0394) FT-IR (KBr): 3000 cm-1: O-H stretching vibration, 1445, 1392 cm-1: triazole ring stretching vibration, 661 cm-1: C-S stretching vibration (0395) 1H-NMR (CDCl3 400 MHz): delta 0.96 (t, 3H, CH3(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3CH2CH2CH2-S), 1.75 (quin, 2H, CH3CH2CH2CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.03 (t, 2H, CH3CH2CH2CH2-S), 7.16 (s, 1H), 7.37 (d, 1H), 7.70 (s, 1H), 7.81 (d, 1H), 8.05 (d, 1H), (insg. 5arom. CH), 11.61 (s, 1H, -Ph-OH-CH3-C(CH3)3)(0396) 13C-NMR (CDCl3 400 MHz): delta 13.7 (CH3(CH2)3-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 22.1 (CH3CH2CH2CH2-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 30.8 (-Ph-OH-CH3-C(CH3)3), 32.8 (CH3CH2CH2CH2-S), 35.4 (CH3CH2CH2CH2-S), 113.6, 117.5, 119.3, 128.7, 129.3 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (60.0 g, 0.190 mol), butane thiol (34.3 g, 0.380 mol), potassium carbonate (57.8 g, 0.418 mol), and potassium iodide (2.21 g, 0.013 mol) were reacted in 150 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 6 was obtained. FT-IR (KBr): 3000 cm-1; O-H stretching vibration 1445, 1392 cm -1; triazole ring stretching vibration 661 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 0.96 (t, 3H, CH3(CH2)3-S). 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3CH2CH2CH2-S), 1.75 (quin, 2H, CH3 CH2 CH2 CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.03 (t, 2H, CH3CH2CH2CH2-S), 7.16 (s, 1H), 7.37 (d, 1H), 7.70 (s, 1H), 7.81 (d, 1H), 8.05 (d, 1H), (insg.5arom, CH), 11.61 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 13.7 (CH3(CH2)3-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 22.1 (CH3CH2CH2CH2-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 30.8 (-Ph-OH-CH3-C(CH3)3), 32.8 (CH3CH2CH2CH2-S), 35.4 (CH3CH2CH2CH2-S), 113.6, 117.5. 119.3, 128.7, 129.3 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0392; 0393; 0394; 0395; 0396
[2]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0132; 0133; 0134; 0135

38
[ 513-53-1 ]
[ 3896-11-5 ]
C₂₁H₂₇N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis of Compound 15 (0437) (0438) 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (36.3 g, 0.115 mol), sec-butylmercaptan (20.8 g, 0.231 mol), potassium carbonate (35.0 g, 0.253 mol), and potassium iodide (1.3 g, 0.008 mol) were allowed to react for 12 hours at 125 C. in 100 g of DMF. After completion of the reaction, the reaction liquid was subjected to pH adjustment, filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 15 was obtained. (0439) FT-IR (KBr): 2961 cm-1: O-H stretching vibration, 1448, 1391 cm-1: triazole ring stretching vibration, 665 cm-1: C-S stretching vibration (0440) 1H-NMR (CDCl3 400 MHz): delta 1.06 (t, 3H, CH3CH2CH(CH3)-S), 1.37 (d, 3H, CH3CH2CH(CH3)-S), 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 1.61 (m, 2H, CH3CH2CH(CH3)-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.32 (m, 1H, CH3CH2CH(CH3)-S), 7.17 (s, 1H), 7.42 (d, 1H), 7.80 (s, 1H), 7.84 (d, 1H), 8.06 (d, 1H), (insg. 5arom. CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0441) 13C-NMR (CDCl3 400 MHz): delta 11.5 (CH3CH2CH(CH3)-S), 20.3 (CH3CH2CH(CH3)-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 29.4 (CH3CH2CH(CH3)-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 44.6 (CH3CH2CH(CH3)-S), 117.3, 117.5, 119.3, 128.3, 128.8 (CHarom), 141.5, 143.2 (Carom), 125.4 (Carom-N), 131.2 (Carom-CH3), 136.4 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0437; 0438; 0439; 0440; 0441

39
[ 143-10-2 ]
[ 3896-11-5 ]
C₂₇H₃₉N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	Synthesis of Compound 9 (0407)(0408) 2-(2-Hydroxy-3-tert-butyl-5methylphenyl)-5-chlorobenzotriazole (50.0 g, 0.158 mol), decanol (55.2 g, 0.317 mol), potassium carbonate (48.1 g, 0.348 mol), and potassium iodide (1.8 g, 0.011 mol) were allowed to react for 12 hours at 125 C. in 125 g of DMF. After completion of the reaction, the pH was adjusted, subsequently the reaction liquid was subjected to filtration, washing with MeOH, and washing with water, and recrystallization was performed. Thus, Compound 9 was obtained. (0409) FT-IR (KBr): 2958 cm-1: O-H stretching vibration, 1448, 1392 cm-1: triazole ring stretching vibration, 641 cm-1: C-S stretching vibration (0410) 1H-NMR (CDCl3 400 MHz): delta 0.89 (t, 3H, CH3(CH2)9-S), 1.26 (m, 12H, CH3 (CH2)6(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3(CH2)6CH2(CH2)2-S), 1.74 (quin, 2H, CH3(CH2)7CH2CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.03 (t, 2H, CH3(CH2)7CH2CH2-S), 7.16 (s, 1H), 7.36 (d, 1H), 7.69 (s, 1H), 7.78 (d, 1H), 8.05 (s, 1H), (insg. 5arom. CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) (0411) 13C-NMR (CDCl3 400 MHz): delta 14.0 (CH3(CH2)9-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 22.7 (CH3CH2(CH2)7CH2-S), 28.729.5 (CH3CH2 (CH2)6CH2CH2-S), 29.6 (-Ph-OH-CH3-C(CH3)3), 31.9 (-Ph-OH-CH3-C(CH3)3), 33.1 (CH3(CH2)7CH2CH2-S), 35.4 (CH3(CH2)7CH2CH2-S), 113.6, 117.5, 119.3, 128.7, 129.3 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2017/217937,2017,A1 .Location in patent: Paragraph 0407; 0408; 0409; 0410; 0411

40
C₁₇H₂₀ClN₃O₂ [ No CAS ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
94.3%	With sodium phosphite; hydrogen; sodium hydroxide; at 80℃; under 11251.1 Torr; for 8.0h;Autoclave;	The nitrogen oxide solution obtained in the first step, 23.0 g of sodium hydroxide, 9.5 g of a Raney nickel catalyst,1.9g sodium phosphite into the autoclave, purged with nitrogen gas, maintaining the autoclave pressure 1.5MPa, the reaction temperature of 80 C, the reaction 8h to the end of the reaction. The reaction solution was filtered to remove the catalyst, washed 2-3 times with 200ml of water, The organic phase was distilled off under normal pressure until the liquid phase temperature was 135 C., and then was subjected to alcoolysis in 600.0 g of a 30% toluene / methanol mixed solvent. Cooling filtered and dried to obtain UV-326, UV-326 content (HPLC) 99.1%, a yield of 94.3%.

Reference： [1]Patent: CN106749059,2017,A .Location in patent: Paragraph 0044-0071

41
[ 112-30-1 ]
[ 3896-11-5 ]
C₂₇H₃₉N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.0 g, 0.158 mol), decanol (55.2 g, 0.317 mol), potassium carbonate (48.1 g, 0.348 mol), and potassium iodide (1.8 g, 0.011 mol) were reacted in 125 g of DMF for 12 hours at 125 C., Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 8 was obtained. FT-IR (KBr): 2958 cm-1; O-H stretching vibration 1448, 1392 cm-1: triazole ring stretching vibration 641 cm-1; C-S stretching vibration 1H-NIMR (CDCl3 400 MHz): delta 0.89 (t, 3H, CH3(CH2)9-S), 1.26 (m, 12H, CH3 (CH2)6(CH2)3-S), 1.49 (m, 11H, -Ph-OH-CH3-C(CH3)3, CH3(CH2)6 CH2(CH2)2-S), 1.74 (quin, 2H, CH3 (CH2)7 CH2CH2-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3),3), 3.03 (t, 2H, CH3 (CH2)7CH2CH2-S), 7.16 (s, 1H), 7.36 (d, 1H), 7.69 (s, 1H), 7.78 (d, 1H), 8.05 (s, 1H), (insg.5arom. CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 14.0 (CH3(CH2)9-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 22.7 (CH3CH2(CH2)7CH2-S), 28.729.5 CH3 CH2 (CH2)6 CH2CH2-S), 29.6 (-Ph-OH-CH3-C(CH3)3), 31.9 (-Ph-OH-CH3-C(CH3)3), 33.1 (CH3(CH2)7CH2CH2-S), 35.4 (CH3(CH2)7CH2CH2-S), 113.6, 117.5, 119.3, 128.7, 129.3 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom-CH3), 138.0 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0141; 0142; 0143; 0144; 0145

42
[ 513-53-1 ]
[ 3896-11-5 ]
C₂₁H₂₇N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (36.3 g, 0.115 mol), sec-butyl mercaptan (20.8 g, 0.231 mol), potassium carbonate (35.0 g, 0.253 mol), and potassium iodide (1.3 g, 0.008 mol) were reacted in 100 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing and recrystallization, the compound 9 was obtained. FT-IR (KBr): 2961 cm-1; O-H stretching vibration 14413, 1391 cm-1; triazole ring stretching vibration 665 cm-; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 1.06 (t, 3H, CH3CH2CH(CH3)-S), 1.37 (d, 3H, CH3CH2CH(CH3)-S), 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 1.61 (m, 2H, CH3CH2CH(CH3)-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.32 (m, 1H, CH3CH2CH(CH3)-S), 7.17 (s, 1H), 7.42 (d, 1H), 7.80 (s, 1H), 7.84 (d, 1H), 8.06 (d, 1H), (insg.5arom, CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 11.5 (CH3CH2CH(CH3)-S), 20.3 (CH3CH2CH(CH3)-S), 20.9 (-Ph-OH-CH3-C(CH3)3), 29.4 (CH3CH2CH(CH3)-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 44.6 (CH3CH2CH(CH3)-S), 117.3, 117.5, 119.3 , 128.3, 128.8 (CHarom), 141.5, 143.2 (Carom), 125.4 (Carom-N), 131.2 (Carom-CH3), 136.4 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0146; 0147; 0148; 0149; 0150

43
[ 1569-69-3 ]
[ 3896-11-5 ]
C₂₃H₂₉N₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (32.3 g, 0.102 mol), cyclohexane thiol (23.8 g, 0.205 mol), potassium carbonate (31.1 g, 0.225 mol), and potassium iodide (1.2 g, 0.007 mol) were reacted in 100 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing and recrystallization, the compound 10 was obtained. FT-IR (KBr): 2930 cm-1; O-H stretching vibration 1450, 1391 cm-1; triazole ring stretching vibration 667 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 1.40 (m, 4H, CH2(CH2)2(CH2)2CH-S), 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 1.54 (m, 2H, CH2(CH2)2(CH2)2CH-S), 1.83 (m, 2H, CH2(CH2)2CH2CH2CH-S), 2.06 (m, 2H, CH2(CH2)2CH2CH2CH-S), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 3.29 (m, 1H, CH2CH2CH2CH-S), 7.17 (s, 1H), 7.43 (d, 1H), 7.80 (s, 1H), 7.84 (d, 1H), 8.06 (d, 1H), (insg.5arom, CH), 11.62 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3), 25.7 (CH2(CH2)2(CH2)2CH-S), 26.0 (CH2(CH2)2 (CH2)2CH-S), 29.5 (-Ph-OH-CH3-C(CH3)3), 33.1 (CH2(CH2)2(CH2)2CH-S), 35.4 (-Ph-OH-CH3-C(CH3)3), 46.3 (CH2(CH2)2 (CH2)2CH-S), 117.2, 117.5, 119.3, 128.3, 128.8 (CHarom), 141.5, 143.2 (Carom), 125.4 (Carom-N), 131.2 (Carom-CH3), 136.1 (Carom-S), 139.1 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0151; 0152; 0153; 0154; 0155

44
[ 3896-11-5 ]
[ 60-24-2 ]
C₁₉H₂₂HoN₃OS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 125℃; for 12.0h;	2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole (50.5 g, 0.160 mol), 2-mercaptoethanol (25.0 g, 0.320 mol), potassium carbonate (48.6 g, 0.352 mol), and potassium iodide (1.9 g. 0.011 mol) were reacted in 125 g of DMF for 12 hours at 125 C. Upon the completion of the reaction, pH was adjusted, and then by performing filtration, MeOH washing, washing, and recrystallization, the compound 14 was obtained. FT-IR (KBr): 3350 cm-1; O-H stretching vibration 1437, 1392 cm-1; triazole ring stretching vibration 666 cm-1; C-S stretching vibration 1H-NMR (CDCl3 400 MHz): delta 1.49 (S, 9H, -Ph-OH-CH3-C(CH3)3), 2.38 (s, 3H, -Ph-OH-CH3-C(CH3)3), 2.79 (t, 2H, HOCH2CH2-S), 3.25 (t, 2H, HOCH2CH2-S), 7.17 (s, 1H), 7.41 (d, 1H), 7.83 (s, 1H), 7.84 (d, 1H), 8.05 (d, 1H), (insg.5arom. CH), 11.56 (s, 1H, -Ph-OH-CH3-C(CH3)3) 13C-NMR (CDCl3 400 MHz): delta 20.9 (-Ph-OH-CH3-C(CH3)3), 29.5 (-Ph-OH-CH3-C(CH3)3), 35.4 (-Ph-OH-CH3-C(CH3)3), 36.8 (HOCH2CH2-S), 60.3 (HOCH2CH2-S), 115.8, 118.0, 119.3, 128.4, 129.7 (CHarom), 141.5, 143.2 (Carom), 125.3 (Carom-N) 128.9 (Carom-CH3), 135.7 (Carom-S), 139.2 (Carom-C(CH3)3), 146.7 (Carom-OH)

Reference： [1]Patent: US2018/134872,2018,A1 .Location in patent: Paragraph 0171; 0172; 0173; 0174; 0175

45
C₁₇H₁₈ClN₃O₂ [ No CAS ]
[ 3896-11-5 ]

Yield	Reaction Conditions	Operation in experiment
97.8%	In isopropyl alcohol; at 80 - 82℃; for 4.0h;	(2) Hydrogen transfer reaction:To a 500 ml four-necked flask was added 35.0 g of 2-nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methylazobenzene, 140 g of isopropanol, and 2,3-dichloro -1,4-naphthoquinone 0.035g,Nitrogen gas was introduced, and the mixture was stirred until the materials were uniformly mixed, and then 6.0 g of solid sodium hydroxide was added.The reaction material is heated and kept at 40-45 C for 2.0 h.TLC tracking showed that the starting material 2-nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methylazobenzene was completely reacted to form a transition reducing product benzotriazole nitroxoxide;Continue to raise the temperature to 80-82 C, and keep the reaction for 4.0 h.TLC tracking showed complete conversion to the desired product.(3) Post-treatment: The water bath is cooled under nitrogen atmosphere. When it is lower than 40 C, it is neutralized with 50% sulfuric acid to pH 7.0-7.5, 300 g of water is added, solid material is precipitated, and the solid product is filtered and washed with water below 40 C. Then, yellow 2-(2'-hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazole was obtained, and the product was weighed and dried to give a product (30.8 g, yield 97.8%, HPLC. Pure detectionDegree 98.2%.

Reference： [1]Patent: CN108148009,2018,A .Location in patent: Paragraph 0072; 0075; 0076

Same Skeleton Products

Related Products

Historical Records

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 3896-11-5 ] {[proInfo.proName]}

Quality Control of [ 3896-11-5 ]

Related Doc. of [ 3896-11-5 ]

Product Details of [ 3896-11-5 ]

Calculated chemistry of [ 3896-11-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 3896-11-5 ]

Application In Synthesis of [ 3896-11-5 ]

[ 3896-11-5 ] Synthesis Path-Upstream 1~10

[ 3896-11-5 ] Synthesis Path-Downstream 1~45

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry