[ CAS No. 217479-60-2 ] {[proInfo.proName]}

Name: 217479-60-2|2,4,6-Trichlorobenzyl alcohol|97%
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Quality Control of [ 217479-60-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 217479-60-2 ]

Product Details of [ 217479-60-2 ]

CAS No. :	217479-60-2	MDL No. :	MFCD03093891
Formula :	C₇H₅Cl₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WKJWKKDGJLKFER-UHFFFAOYSA-N
M.W :	211.47	Pubchem ID :	4582574
Synonyms :

Calculated chemistry of [ 217479-60-2 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	47.6
TPSA :	20.23 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.21
Log Po/w (XLOGP3) :	2.92
Log Po/w (WLOGP) :	2.99
Log Po/w (MLOGP) :	3.3
Log Po/w (SILICOS-IT) :	3.6
Consensus Log Po/w :	3.0

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.33
Solubility :	0.0993 mg/ml ; 0.000469 mol/l
Class :	Soluble
Log S (Ali) :	-3.01
Solubility :	0.209 mg/ml ; 0.000986 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.08
Solubility :	0.0175 mg/ml ; 0.0000828 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.3

Safety of [ 217479-60-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 217479-60-2 ]

* 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 [ 217479-60-2 ]
Downstream synthetic route of [ 217479-60-2 ]

[ 217479-60-2 ] Synthesis Path-Upstream 1~4

1
[ 50-43-1 ]
[ 217479-60-2 ]

Yield	Reaction Conditions	Operation in experiment
100%	Stage #1: With borane-dimethyl sulfide complex In tetrahydrofuran at 22℃; Inert atmosphere; Cooling with ice; Reflux Stage #2: With methanol In tetrahydrofuran	Step 1 ) 1 4To a solution of commercially available compound 1 (22.5 g, 0.1 mol) in THF (200 mL) was added BH3-Me2S (10 M, 20 mL, 0.2 mol) under N2 with ice-cooling. The mixture was allowed to warm to 22°C and stirred overnight under reflux. Methanol (100 mL) was added drop-wise and the resulting mixture stirred for 16 g. The mixture was concentrated in vacuo to afford compound 4 (22.7 g, 100percent) as a white solid. ¹H NMR (CDCIs 400MHz): ? 7.37 (s, 2H), 4.93 (d, 2H, J=6.8 Hz).

Reference： [1] Patent: WO2013/72300, 2013, A1, . Location in patent: Page/Page column 123-124
[2] Angewandte Chemie - International Edition, 2015, vol. 54, # 36, p. 10596 - 10599[3] Angew. Chem., 2015, vol. 127, p. 10742 - 10745,4
[4] Patent: US6348474, 2002, B1, . Location in patent: Page column 126

2
[ 23749-65-7 ]
[ 217479-60-2 ]

Reference： [1] Journal of the Chemical Society. Perkin Transactions 2, 2000, # 4, p. 871 - 877

3
[ 217479-61-3 ]
[ 217479-60-2 ]

Reference： [1] Journal of the Chemical Society. Perkin Transactions 2, 2000, # 4, p. 871 - 877

4
[ 217479-60-2 ]
[ 24473-00-5 ]

Reference： [1] Journal of the Chemical Society. Perkin Transactions 2, 2000, # 4, p. 871 - 877
[2] Patent: WO2006/94842, 2006, A1, . Location in patent: Page/Page column 50-51

[ 217479-60-2 ] Synthesis Path-Downstream 1~50

1
[ 217479-60-2 ]
[ 24473-00-5 ]

Yield	Reaction Conditions	Operation in experiment
	With manganese(IV) oxide; sodium chloride; In chloroform; for 18h;Heating / reflux;	A solution of <strong>[217479-60-2]2,4,6-trichlorobenzyl alcohol</strong> (0.98g) in chloroform (40ml) was treated with manganese dioxide (3.2g) and sodium chloride (3.2g) and heated to reflux for 18 hours. The solids were removed by filtration and the filtrate evaporated to afford crude product. Chromatography on silica gel, eluting with 0-50% ethyl acetate/pentane gave 2,4,6- trichlorobenzaldehyde (320mg). This was treated as described in Descriptions 35 and 36 to afford the desired product as a yellow oil (70mg).

Reference： [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2000,p. 871 - 877
[2]Patent: WO2006/94842,2006,A1 .Location in patent: Page/Page column 50-51

2
2,4,6-trichlorobenzyl acetate [ No CAS ]
[ 217479-60-2 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2000,p. 871 - 877

3
[ 31562-43-3 ]
[ 217479-60-2 ]
2-methylpropane-2-sulfinic acid 2,4,6-trichlorobenzyl ester [ No CAS ]

Reference： [1]Organic Letters,2005,vol. 7,p. 1733 - 1736

4
[ 31562-43-3 ]
[ 217479-60-2 ]
(S)-2-methylpropane-2-sulfinic acid 2,4,6-trimethylbenzyl ester [ No CAS ]
(R)-2-methylpropane-2-sulfinic acid 2,4,6-trimethylbenzyl ester [ No CAS ]

Reference： [1]Organic Letters,2005,vol. 7,p. 1733 - 1736
[2]Organic Letters,2005,vol. 7,p. 1733 - 1736

5
[ 23749-65-7 ]
[ 217479-60-2 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2000,p. 871 - 877

6
[ 217479-60-2 ]
(5Z,10Z,14Z,19Z)-5,10,15,20-Tetrakis-(2,4,6-trichloro-phenyl)-porphyrin [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2000,p. 871 - 877

7
[ 217479-61-3 ]
[ 217479-60-2 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2000,p. 871 - 877

8
[ 217479-60-2 ]
[ 124-63-0 ]
[ 219765-34-1 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at -40℃; for 0.5h;	General procedure: Each benzyl alcohol derivative (1.00 mmol) was combined with dichloromethane (5 mL) and triethylamine (280 mL, 2.01 mmol) in a50-mL round-bottom flask. The mixture was cooled to 40 C, and methanesulfonyl chloride (110 muL, 1.40 mmol) was added to the mixture while being stirred vigorously. After 30 min at 40 C, the reaction mixture was washed with a 1% HCl solution (3 10 mL) and a saturated aqueous NaHCO3 solution (3 x 5 mL). The organic layer was dried (Na2SO4), filtered and the solvent was removed in vacuo to produce high yields (90-100%) of pure benzyl mesylates 8a-i.
		In the same manner as in Preparation Example 14-1, the objective compound (407 mg) was obtained as white crystals from <strong>[217479-60-2]2,4,6-trichlorobenzyl alcohol</strong> (300 mg) and methanesulfonyl chloride (179 mg). 1H-NMR(CDCl3): 3.08(3H, s), 5.48(2H, s), 7.42(2H, s).

Reference： [1]Journal of the Brazilian Chemical Society,2013,vol. 24,p. 953 - 961
[2]European Journal of Medicinal Chemistry,2014,vol. 84,p. 595 - 604
[3]Patent: US6348474,2002,B1 .Location in patent: Page column 126
[4]Mendeleev Communications,2018,vol. 28,p. 195 - 197
[5]European Journal of Medicinal Chemistry,2019,vol. 183

9
[ 50-43-1 ]
[ 217479-60-2 ]

Yield	Reaction Conditions	Operation in experiment
100%		Step 1 ) 1 4To a solution of commercially available compound 1 (22.5 g, 0.1 mol) in THF (200 mL) was added BH3-Me2S (10 M, 20 mL, 0.2 mol) under N2 with ice-cooling. The mixture was allowed to warm to 22C and stirred overnight under reflux. Methanol (100 mL) was added drop-wise and the resulting mixture stirred for 16 g. The mixture was concentrated in vacuo to afford compound 4 (22.7 g, 100%) as a white solid. 1H NMR (CDCIs 400MHz): ? 7.37 (s, 2H), 4.93 (d, 2H, J=6.8 Hz).
		In the same manner as in Preparation Example 74-4, the objective compound (4.14 g) was obtained as white crystals from <strong>[50-43-1]2,4,6-trichlorobenzoic acid</strong> (5.00 g). 1H-NMR(CDCl3): 2.04(1H, br s), 4.91(2H, s), 7.36(2H, s).

Reference： [1]Patent: WO2013/72300,2013,A1 .Location in patent: Page/Page column 123-124
[2]Angewandte Chemie - International Edition,2015,vol. 54,p. 10596 - 10599
Angew. Chem.,2015,vol. 127,p. 10742 - 10745,4
[3]Patent: US6348474,2002,B1 .Location in patent: Page column 126

10
[ 217479-60-2 ]
[ 17293-03-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	With thionyl chloride;N,N-dimethyl-formamide; In chloroform; at 0 - 20℃; for 3.25h;Inert atmosphere;	a) Preparation of 1 ,3,5-trichloro-2-chloromethyl-benzene:To a stirred solution of <strong>[217479-60-2]2,4,6-trichlorobenzylalcohol</strong> (10.0g; 47.3 mmoles) in chloroform (100ml) kept under nitrogen atmosphere, thionyl chloride (6.07ml_, 85.1 mmole) was added slowly at O0C over a period of 15 minutes followed by catalytic amount of DMF The reaction mix was allowed to stir at ambient temp for 3 hours. The reaction mixture was quenched with 5OmL of water; the aqueous layer was extracted with DCM (3 X 100ml). The combined organic layer was washed with 5% sodium bicarbonate solution (2 x 50ml) followed by brine (50ml) and dried over anhydrous sodium sulphate. The solvent was evaporated under reduced pressure. 10.9g (100.0% of theory) of 1 ,3,5-trichloro-2-chloromethyl-benzene was obtained in form of a white solid.1 HNMR (CDCI3, 400MHz): delta= 7.37 (2H, s); 4.82 (2H, s) Mass: M = 229.8
100%	With thionyl chloride;N,N-dimethyl-formamide; In chloroform; at 0 - 20℃; for 3.25h;	To a stirred solution of <strong>[217479-60-2]2,4,6-trichlorobenzylalcohol</strong> (10.0 g; 47.3 mmoles) in chloroform (100 ml) kept under nitrogen atmosphere, thionyl chloride (6.07 mL, 85.1 mmole) was added slowly at 0 C. over a period of 15 minutes followed by catalytic amount of DMF. The reaction mix was allowed to stir at ambient temp for 3 hours. The reaction mixture was quenched with 50 mL of water; the aqueous layer was extracted with DCM (3100 ml). The combined organic layer was washed with 5% sodium bicarbonate solution (250 ml) followed by brine (50 ml) and dried over anhydrous sodium sulphate. The solvent was evaporated under reduced pressure. 10.9 g (100.0% of theory) of 1,3,5-trichloro-2-chloromethyl-benzene was obtained in form of a white solid. 1HNMR (CDCl3, 400 MHz): delta=7.37 (2H, s); 4.82 (2H, s) Mass: M=229.8
100%	With thionyl chloride;N,N-dimethyl-formamide; In chloroform; at 0 - 20℃; for 3.25h;Inert atmosphere;	Example P9: Preparation of 1 ,3,5-trichloro-2-chloromethyl-benzene:To a stirred solution of <strong>[217479-60-2]2,4,6-trichlorobenzylalcohol</strong> (10.0 g; 47.3 mmol) in chloroform (100 ml) kept under nitrogen atmosphere, thionyl chloride (6.07 ml; 85.1 mmol) was added slowly at 0C over a period of 15 minutes followed by catalytic amount of DMF .The reaction mix was allowed to stir at ambient temp for 3 hours. The reaction mixture was quenched with 50 ml of water; the aqueous layer was extracted with DCM (3 x 100 ml). The combined organic layer was washed with 5% sodium bicarbonate solution (2 x 50 ml) followed by brine (50 ml) and dried over anhydrous sodium sulphate. The solvent was evaporated under reduced pressure. 10.9 g (100% of theory) of 1 ,3,5-trichloro-2-chloromethyl-benzene was obtained in form of a white solid.1H NMR (400 MHz, CHLOROFORM-d) delta ppm 7.37 (s, 2 H); 4.82 (s, 2 H)MS [M+H]+ 231/233.

100%	With thionyl chloride; N,N-dimethyl-formamide; In chloroform; at 0 - 20℃; for 3.25h;Inert atmosphere;	Example P9 Preparation of 1,3,5-trichloro-2-chloromethyl-benzene To a stirred solution of <strong>[217479-60-2]2,4,6-trichlorobenzylalcohol</strong> (10.0 g; 47.3 mmol) in chloroform (100 ml) kept under nitrogen atmosphere, thionyl chloride (6.07 ml; 85.1 mmol) was added slowly at 0 C. over a period of 15 minutes followed by catalytic amount of DMF. The reaction mix was allowed to stir at ambient temp for 3 hours. The reaction mixture was quenched with 50 ml of water; the aqueous layer was extracted with DCM (3100 ml). The combined organic layer was washed with 5% sodium bicarbonate solution (250 ml) followed by brine (50 ml) and dried over anhydrous sodium sulphate. The solvent was evaporated under reduced pressure. 10.9 g (100% of theory) of 1,3,5-trichloro-2-chloromethyl-benzene was obtained in form of a white solid. 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 7.37 (s, 2H); 4.82 (s, 2H) MS [M+H]+231/233.
100.0%	With thionyl chloride;N,N-dimethyl-formamide; In chloroform; at 0 - 20℃; for 3.25h;	Example P6 1-methyl-4-(2,4,6-trichloro-phenyl)-butylamine: a) Preparation of 1 ,3,5-trichloro-2-chloromethyl-benzene: To a stirred solution of <strong>[217479-60-2]2,4,6-trichlorobenzylalcohol</strong> (10.0g; 47.3 mmoles) in chloroform (100ml) kept under nitrogen atmosphere, thionyl chloride (6.07ml_, 85.1 mmole) is added slowly at O0C over a period of 15 minutes followed by catalytic amount of DMF The reaction mix is allowed to stir at ambient temp for 3 hr. The reaction mixture is quenched with 5OmL of water; the aqueous layer is extracted with DCM (3 X 100ml). The combined organic layer is washed with 5% Sodium bicarbonate solution (2 x 50ml) followed by brine (50ml) and dried over anhydrous sodium sulphate. The solvent is evaporated under reduced pressure. 10.9g (100.0% of theory) of 1 ,3,5-trichloro-2-chloromethyl-benzene is obtained in form of a white solid.1 HNMR (CDCI3, 400MHz): delta= 7.37 (2H, s); 4.82 (2H, s) Mass: M = 229.8
1.58 g	With thionyl chloride; N,N-dimethyl-formamide; In chloroform; at 0 - 20℃; for 2h;Inert atmosphere;	PREPARATION EXAMPLE 4: N-rri -(2.4.6-trichlorophenvncvclopropyllmethvn-3- (trifluoromethyl)pyridine-2-carboxamide (Compound A29)Step 1 : 1 ,3,5-trichloro-2-(chloromethyl)benzeneTo a stirred solution of <strong>[217479-60-2](2,4,6-trichlorophenyl)methanol</strong> (2g, 9.4574 mmol) in chloroform (20 mL) kept under N2 atmosphere, thionyl chloride (1 .25 ml_, 17.023 mmol), was added slowly at 0C over a period of 10 min followed by a catalytic amount of DMF (35 mg, 0.4733 mmol). The reaction mixture was allowed to stirred at RT for 2h.The reaction mixture was quenched with 10 mL of water; the aqueous layer is extracted with dichloromethane (3 times). The combined organic layer were washed with 5% Na2C03 solution (2*10 mL), followed by NaCI (10mL) and dried over Na2S04. The solvent was evaporated under reduced pressure to give an yellow oil (1.78 gr). The oil was diluted in EtOAc and washed twice with NaCI (3 mL), then dried over NaS04, filtrated and evaporated to give 1.58 g of desired product.1H-NMR (CDCI3): 7.4 (s, 2H); 4.8 (s, 2H).

Reference： [1]Patent: WO2010/63700,2010,A2 .Location in patent: Page/Page column 41
[2]Patent: US2011/230537,2011,A1 .Location in patent: Page/Page column 18
[3]Patent: WO2011/147690,2011,A1 .Location in patent: Page/Page column 34
[4]Patent: US2013/72535,2013,A1 .Location in patent: Paragraph 0166-0169
[5]Patent: WO2009/127718,2009,A2 .Location in patent: Page/Page column 26
[6]Angewandte Chemie - International Edition,2016,vol. 55,p. 10145 - 10149
Angew. Chem.,2016,vol. 128,p. 10300 - 10304,5
[7]Patent: WO2013/64520,2013,A1 .Location in patent: Page/Page column 90

11
[ 217479-60-2 ]
[ 74936-72-4 ]
[ 1233222-21-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 3147 - 3158

12
[ 217479-60-2 ]
[ 1191993-14-2 ]

Reference： [1]Patent: US2011/230537,2011,A1
[2]Patent: WO2009/127718,2009,A2

13
[ 217479-60-2 ]
[ 72017-35-7 ]

Reference： [1]Patent: US2011/230537,2011,A1
[2]Patent: WO2013/64520,2013,A1
[3]Patent: WO2009/127718,2009,A2

14
[ 217479-60-2 ]
[ 1355089-31-4 ]
[ 1355089-32-5 ]

Yield	Reaction Conditions	Operation in experiment
85%	With di-isopropyl azodicarboxylate; triphenylphosphine; In dichloromethane; at 20℃; for 0.5h;	Tert-butyl 2-{6-[(2,4,6-trichlorophenyl)methoxy]-2H-spiro[l- benzofuran-3,4'-piperidine]-l'-yl}acetate. To a solution of (2,4,6-trichloro- phenyl) methanol (248 mg; 1.17 mmol) and Tert-butyl 3-{6-hydroxy-2H-spiro[l- benzofuran-3,4'-piperidine]-l'-yl}acetate (300 mg; 0.94 mmol) indichloromethane (20 mL) was added triphenylphosphine (308 mg; 1.17 mmol), followed, after 30 minutes by DIAD (0.23 mL; 1.17 mmol). Subsequently, the resulting mixture was stirred at RT overnight, and concentrated in vacuo. Subsequently, the reaction mixture was partitioned between 5% aqueous NaHC03 solution and EtOAc. The layers were separated and the organic layer was dried (Na2S04), filtered, and concentrated. The residue was purified by column chromatography (S1O2, Et20: hexanes 1:1) to afford the product (410 mg, 85%). Rt 1.63 min (System B), [M+H]+ 514.0.

Reference： [1]Patent: WO2012/4378,2012,A1 .Location in patent: Page/Page column 100

15
[ 217479-60-2 ]
[ 1355089-42-7 ]
[ 1355089-43-8 ]

Yield	Reaction Conditions	Operation in experiment
52%	With di-isopropyl azodicarboxylate; triphenylphosphine; In dichloromethane; at 20℃; for 0.5h;	Tert-butyl 4-{6-[(2,4,6-trichlorophenyl)methoxy]-2H-spiro[l- benzofuran-3,4'-piperidine]-l'-yl}butanoate. To a solution of (2,4,6- trichlorophenyl)methanol (164.5 mg; 0.78 mmol) and tert-butyl 4-{6-hydroxy- 2H-spiro[l-benzofuran-3,4'-piperidine]- l'-yl}butanoate (250 mg; 0.62 mmol) in dichloromethane (20 mL) was added triphenylphosphine (204 mg; 0.78 mmol), followed, after 30 minutes by DIAD (0.15 mL; 0.78 mmol). Subsequently, the resulting mixture was stirred at RT overnight, and concentrated in vacuo. Subsequently, the reaction mixture was partitioned between 5% aqueous NaHC03 solution and EtOAc. The layers were separated and the organic layer was dried (Na2S04), filtered, and concentrated. The residue was purified by column chromatography (S1O2, Et20: hexanes 1:2) to afford the product (174 mg, 52%). Rt 1.59 min (System B), [M+H]+ 542.0.

Reference： [1]Patent: WO2012/4378,2012,A1 .Location in patent: Page/Page column 104-105

16
[ 217479-60-2 ]
[ 1314781-76-4 ]

Reference： [1]Patent: WO2013/64520,2013,A1

17
[ 217479-60-2 ]
[ 1433966-81-4 ]

Reference： [1]Patent: WO2013/64520,2013,A1

18
[ 217479-60-2 ]
[ 1433965-93-5 ]

Reference： [1]Patent: WO2013/64520,2013,A1

19
[ 217479-60-2 ]
[ 217479-61-3 ]

Yield	Reaction Conditions	Operation in experiment
62.3%	With phosphorus tribromide; In dichloromethane; at 0 - 22℃; for 2h;	Step 2)4 5To a solution of compound 4 (2.1 g, 10 mmol) in CH2CI2 (40 mL) was added PBr3 (2.7 g, 10 mmol) at 0C. The mixture was stirred at ambient 22C for 2 h, and then poured into ice-water and extracted with CH2CI2. The combined organic layers were washed with saturated aq. NaHC03, brine, dried (MgS04) and concentrated under reduced pressure to afford compound 5 (1.7 g, 62.3%). 1H NMR (CDCI3 400MHz): ? 7.36 (s, 2H), 4.71 (s, 2H).

Reference： [1]Patent: WO2013/72300,2013,A1 .Location in patent: Page/Page column 124

20
[ 217479-60-2 ]
[ 1435475-99-2 ]

Reference： [1]Patent: WO2013/72300,2013,A1

21
[ 217479-60-2 ]
[ 1435476-00-8 ]

Reference： [1]Patent: WO2013/72300,2013,A1

22
[ 217479-60-2 ]
[ 1435476-01-9 ]

Reference： [1]Patent: WO2013/72300,2013,A1

23
[ 217479-60-2 ]
[ 1435475-86-7 ]

Reference： [1]Patent: WO2013/72300,2013,A1

24
[ 217479-60-2 ]
C₇H₄Cl₃N₃ [ No CAS ]

Reference： [1]Journal of the Brazilian Chemical Society,2013,vol. 24,p. 953 - 961
[2]European Journal of Medicinal Chemistry,2014,vol. 84,p. 595 - 604
[3]Mendeleev Communications,2018,vol. 28,p. 195 - 197
[4]European Journal of Medicinal Chemistry,2019,vol. 183

25
[ 217479-60-2 ]
C₁₂H₁₂Cl₃N₃O [ No CAS ]

Reference： [1]Journal of the Brazilian Chemical Society,2013,vol. 24,p. 953 - 961

26
[ 108-30-5 ]
[ 217479-60-2 ]
C₁₁H₉Cl₃O₄ [ No CAS ]

Reference： [1]Asian Journal of Chemistry,2014,vol. 26,p. 8025 - 8028

27
[ 217479-60-2 ]
8-(3-(1-(2,4,6-trichlorobenzyl)-1H-1,2,3-triazol-4-yl)propoxy)quinoline [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2014,vol. 84,p. 595 - 604

28
[ 4136-95-2 ]
[ 217479-60-2 ]
C₁₄H₆Cl₆O₂ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 10145 - 10149
Angew. Chem.,2016,vol. 128,p. 10300 - 10304,5

29
5-hydroxyethyl-2-cyanopyridine [ No CAS ]
[ 217479-60-2 ]
C₁₅H₁₁Cl₃N₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
51.97%	With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0℃;	68 mg of <strong>[217479-60-2]2,4,6-trichlorobenzyl alcohol</strong>, 5-hydroxyethyl-2-cyanopyridine and 98 mg of PPh were dissolved in 5 ml of anhydrous tetrahydrofuran, was added dropwise under ice bath DEAD 0.65ml, 0 deg. C overnight, TLC detection reaction, after completion of the reaction, ethyl acetate was added and the mixture was washed with saturated NaCl aqueous solution, column chromatography, petroleum ether: ethyl acetate = 10: 1 to 2: 1 to give the product (2) 59 mg, yield 51.97%.

Reference： [1]Patent: CN105985288,2016,A .Location in patent: Paragraph 0114; 0115; 0116

30
[ 217479-60-2 ]
[ 1191993-17-5 ]

Reference： [1]Patent: WO2009/127718,2009,A2

31
[ 217479-60-2 ]
[ 1191993-16-4 ]

Reference： [1]Patent: WO2009/127718,2009,A2

32
[ 217479-60-2 ]
4-(2,4,6-trichloro-phenyl)-butyric acid [ No CAS ]

Reference： [1]Patent: WO2009/127718,2009,A2

33
[ 217479-60-2 ]
5-(benzenesulfonylcarbamoyl)-2-methyl-3-(2,4,6-trichlorobenzyl)-3H-imidazo[4,5-b]pyridine [ No CAS ]

Reference： [1]Patent: US6348474,2002,B1

34
[ 217479-60-2 ]
methyl 2-methyl-1-(2,4,6-trichlorobenzyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate [ No CAS ]

Reference： [1]Patent: US6348474,2002,B1

35
[ 217479-60-2 ]
methyl 2-methyl-3-(2,4,6-trichlorobenzyl)-3H-imidazo[4,5-b]pyridine-5-carboxylate [ No CAS ]

Reference： [1]Patent: US6348474,2002,B1

36
[ 217479-60-2 ]
2-methyl-3-(2,4,6-trichlorobenzyl)-3H-imidazo[4,5-b]pyridine-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US6348474,2002,B1

37
[ 217479-60-2 ]
C₂₂H₁₉Cl₃N₄ [ No CAS ]

Reference： [1]Mendeleev Communications,2018,vol. 28,p. 195 - 197

38
[ 217479-60-2 ]
C₂₆H₂₁Cl₃N₄ [ No CAS ]

Reference： [1]Mendeleev Communications,2018,vol. 28,p. 195 - 197

39
[ 217479-60-2 ]
3-methyl-2-((trifluoromethyl)thio)benzo[d]thiazol-3-ium trifluoromethanesulfonate [ No CAS ]
(2,4,6-trichlorobenzyl)(trifluoromethyl)sulfane [ No CAS ]

Reference： [1]Chemistry - A European Journal,2019,vol. 25,p. 7635 - 7639

40
[ 217479-60-2 ]
(1-(2,4,6-trichlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl cinnamate [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2019,vol. 183

41
[ 217479-60-2 ]
3-methyl-2-((perfluoroethyl)thio)benzo[d]thiazol-3-ium trifluoromethanesulfonate [ No CAS ]
(perfluoroethyl)(2,4,6-trichlorobenzyl)sulfane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	With N-ethyl-N,N-diisopropylamine; In acetonitrile; at -40℃;	General procedure: The alcohol (0.50 mmol, 1.0 equiv) was dissolved in MeCN (0.17 M), BT-SRF(0.625 mmol, 1.25 equiv) was added and the reaction mixture was cooled to -40 C. NEt(iPr)2 (174 μL,1.0mmol, 2.0 equiv) was then added dropwise and the reaction mixture was stirred for 1-2 h at -40 C. Thereaction mixture was concentrated in vacuo and purified by column chromatography over silica gel.

Reference： [1]Beilstein Journal of Organic Chemistry,2021,vol. 17,p. 83 - 88

42
[ 217479-60-2 ]
3-methyl-2-((perfluoropropyl)thio)benzo[d]thiazol-3-ium trifluoromethanesulfonate [ No CAS ]
(perfluoropropyl)(2,4,6-trichlorobenzyl)sulfane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
98%	With N-ethyl-N,N-diisopropylamine; In acetonitrile; at -40℃;	General procedure: The alcohol (0.50 mmol, 1.0 equiv) was dissolved in MeCN (0.17 M), BT-SRF(0.625 mmol, 1.25 equiv) was added and the reaction mixture was cooled to -40 C. NEt(iPr)2 (174 μL,1.0mmol, 2.0 equiv) was then added dropwise and the reaction mixture was stirred for 1-2 h at -40 C. Thereaction mixture was concentrated in vacuo and purified by column chromatography over silica gel.

Reference： [1]Beilstein Journal of Organic Chemistry,2021,vol. 17,p. 83 - 88

43
[ 217479-60-2 ]
1,3,5-trichloro-2-((pent-4-yn-1-yloxy)methyl)-benzene [ No CAS ]

Reference： [1]Medicinal Chemistry,2021,vol. 17,p. 820 - 833

44
[ 217479-60-2 ]
7-methoxy-3-((4-(3-((2,4,6-trichlorobenzyl)oxy)propyl)-1H-1,2,3-triazol-1-yl)methyl)-1H-isochromen-1-one [ No CAS ]

Reference： [1]Medicinal Chemistry,2021,vol. 17,p. 820 - 833

45
[ 217479-60-2 ]
7-methoxy-3-((4-(3-((2,4,6-trichlorobenzyl)oxy)propyl)-1H-1,2,3-triazol-1-yl)methyl)isochroman-1-one [ No CAS ]

Reference： [1]Medicinal Chemistry,2021,vol. 17,p. 820 - 833

46
[ 217479-60-2 ]
4-[3-cyano-2-hydroxy-5-(2,4,6-trichlorobenzyl)phenyl]-4-oxobutyric acid [ No CAS ]