[ CAS No. 4083-64-1 ]

Name: 4083-64-1|p-Toluenesulfonyl isocyanate|99%
Brand: Ambeed
SKU: A404059
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Cat. No.: {[proInfo.prAm]}

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Quality Control of [ 4083-64-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 4083-64-1 ]

Product Details of [ 4083-64-1 ]

CAS No. :	4083-64-1	MDL No. :	MFCD00002030
Formula :	C₈H₇NO₃S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VLJQDHDVZJXNQL-UHFFFAOYSA-N
M.W :	197.21	Pubchem ID :	77703
Synonyms :

Calculated chemistry of [ 4083-64-1 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	46.76
TPSA :	71.95 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) :	-5.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.75
Log Po/w (XLOGP3) :	2.66
Log Po/w (WLOGP) :	2.1
Log Po/w (MLOGP) :	0.77
Log Po/w (SILICOS-IT) :	1.31
Consensus Log Po/w :	1.72

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.95
Solubility :	0.222 mg/ml ; 0.00113 mol/l
Class :	Soluble
Log S (Ali) :	-3.82
Solubility :	0.0297 mg/ml ; 0.000151 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.71
Solubility :	0.387 mg/ml ; 0.00196 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.32

Safety of [ 4083-64-1 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P264-P271-P280-P284-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P342+P311-P403+P233-P405-P501	UN#:	2206
Hazard Statements:	H303-H315-H319-H334-H335	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 4083-64-1 ]

* 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 [ 4083-64-1 ]
Downstream synthetic route of [ 4083-64-1 ]

[ 4083-64-1 ] Synthesis Path-Upstream 1~5

1
[ 4083-64-1 ]
[ 1694-06-0 ]

Reference： [1] Journal of Organic Chemistry, 1960, vol. 25, p. 352 - 356

2
[ 15177-57-8 ]
[ 4083-64-1 ]
[ 35570-68-4 ]
[ 106691-25-2 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 4, p. 1485 - 1492
[2] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 4, p. 1485 - 1492

3
[ 2402-99-5 ]
[ 4083-64-1 ]
[ 21594-52-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 4, p. 1485 - 1492
[2] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 4, p. 1485 - 1492

4
[ 4083-64-1 ]
[ 5577-13-9 ]

Reference： [1] Patent: US5326796, 1994, A,
[2] Patent: US5326796, 1994, A,
[3] Patent: US5326796, 1994, A,
[4] Patent: US5326796, 1994, A,
[5] Patent: US5326796, 1994, A,
[6] Patent: US5326796, 1994, A,
[7] Patent: US5326796, 1994, A,
[8] Patent: US5326796, 1994, A,
[9] Patent: US5326796, 1994, A,
[10] Patent: US5326796, 1994, A,

5
[ 67-56-1 ]
[ 4083-64-1 ]
[ 14437-03-7 ]

Reference： [1] Organic Letters, 2006, vol. 8, # 5, p. 963 - 965
[2] Journal of the American Chemical Society, 2009, vol. 131, # 33, p. 11701 - 11706
[3] Journal of the American Chemical Society, 2008, vol. 130, # 11, p. 3316 - 3318

[ 4083-64-1 ] Synthesis Path-Downstream 1~69

1
[ 4083-64-1 ]
[ 65-85-0 ]
[ 6971-74-0 ]

Reference： [1]Patent: DE830507,1951,
DRP/DRBP Org.Chem.,

2
[ 2687-91-4 ]
[ 4083-64-1 ]
[ 131657-47-1 ]

Reference： [1]Journal of Organic Chemistry,1991,vol. 56,p. 1529 - 1534

3
[ 461-98-3 ]
[ 4083-64-1 ]
[ 124813-68-9 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1989,vol. 331,p. 121 - 128

4
[ 2402-99-5 ]
[ 4083-64-1 ]
[ 21594-52-5 ]

Reference： [1]Chemical and pharmaceutical bulletin,1986,vol. 34,p. 1485 - 1492
[2]Chemical and pharmaceutical bulletin,1986,vol. 34,p. 1485 - 1492

5
[ 23031-78-9 ]
[ 4083-64-1 ]
[ 142503-56-8 ]

Reference： [1]Il Farmaco,1992,vol. 47,p. 265 - 274

6
[ 1005-39-6 ]
[ 4083-64-1 ]
[ 121087-89-6 ]

Reference： [1]Australian Journal of Chemistry,1988,vol. 41,p. 1221 - 1229

7
[ 94-25-7 ]
[ 4083-64-1 ]
[ 128924-29-8 ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile; at 20 - 70℃; for 3.08333h;	A three necked flask equipped with a dropping funnel, a thermometer and a reflux condenser was charged with 15.4 g of n-butyl 4-aminobenzoate and then with 150 ml of acetonitrile. The mixture in the flask was agitated to dissolve the n-butyl 4-aminobenzoate in acetonitrile. To the solution, 17.3 g of p-toluenesulfonylisocyanate were added dropwise through the dropping funnel at room temperature, while the resultant mixture was agitated by a magnetic stirrer. After the agitation of the mixture was continued for 5 minutes, an exothermic reaction occurred to precipitate a large amount of white solid particles. The resultant reaction mixture was further heated at a temperature of 70 C. for 3 hours, cooled to room temperature and filtered. White crystals were collected in an amount of 26.5 g.

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407
[2]Patent: US6677472,2004,B2 .Location in patent: Page column 14

8
[ 15177-57-8 ]
[ 4083-64-1 ]
[ 35570-68-4 ]
[ 106691-25-2 ]

Reference： [1]Chemical and pharmaceutical bulletin,1986,vol. 34,p. 1485 - 1492
[2]Chemical and pharmaceutical bulletin,1986,vol. 34,p. 1485 - 1492

9
[ 15177-57-8 ]
[ 4083-64-1 ]
[ 106691-28-5 ]

Yield	Reaction Conditions	Operation in experiment
45%	With triethylamine In benzene for 3h; Heating;

Reference： [1]Hisano, Takuzo; Harano, Kazunobu; Fukuoka, Ryuichi; Matsuoka, Toshikazu; Muraoka, Keiji; Shinohara, Ikuo [Chemical and pharmaceutical bulletin, 1986, vol. 34, # 4, p. 1485 - 1492]

10
[ 15177-57-8 ]
[ 4083-64-1 ]
[ 106691-26-3 ]

Yield	Reaction Conditions	Operation in experiment
10%	In benzene at 80℃; for 3h;

Reference： [1]Hisano, Takuzo; Harano, Kazunobu; Fukuoka, Ryuichi; Matsuoka, Toshikazu; Muraoka, Keiji; Shinohara, Ikuo [Chemical and pharmaceutical bulletin, 1986, vol. 34, # 4, p. 1485 - 1492]

11
[ 2802-08-6 ]
[ 4083-64-1 ]
N-{2-[1-Dimethylamino-meth-(Z)-ylidene]-3-oxo-butyryl}-4-methyl-benzenesulfonamide [ No CAS ]

Reference： [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 539 - 547

12
[ 60468-21-5 ]
[ 4083-64-1 ]
[ 128924-47-0 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407

13
[ 700-17-4 ]
[ 4083-64-1 ]
[ 128924-52-7 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407

14
[ 445-03-4 ]
[ 4083-64-1 ]
[ 128924-39-0 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407

15
[ 22236-10-8 ]
[ 4083-64-1 ]
[ 128924-22-1 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407

16
[ 69975-65-1 ]
[ 4083-64-1 ]
[ 128924-75-4 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407

17
[ 960-16-7 ]
[ 4083-64-1 ]
[ 6971-74-0 ]

Reference： [1]Journal of Organic Chemistry,1993,vol. 58,p. 7022 - 7028

18
[ 4083-64-1 ]
[ 5965-59-3 ]
[ 97927-34-9 ]

Reference： [1]Synthesis,1984,p. 1058 - 1061

19
[ 4083-64-1 ]
[ 10441-57-3 ]
[ 131657-46-0 ]

Reference： [1]Journal of Organic Chemistry,1991,vol. 56,p. 1529 - 1534

20
[ 4083-64-1 ]
[ 7149-75-9 ]
[ 128924-40-3 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2393 - 2407

21
[ 4083-64-1 ]
[ 1005-38-5 ]
[ 133030-35-0 ]

Reference： [1]Australian Journal of Chemistry,1991,vol. 44,p. 129 - 134

22
[ 4083-64-1 ]
[ 71-43-2 ]
[ 6971-74-0 ]

Reference： [1]Journal of the Indian Chemical Society,2004,vol. 81,p. 885 - 887
[2]Chemische Berichte,1964,vol. 97,p. 472 - 479

23
[ 15430-52-1 ]
[ 4083-64-1 ]
[ 915068-34-7 ]
[ 177978-89-1 ]

Reference： [1]Tetrahedron,1996,vol. 52,p. 6581 - 6590

24
[ 4083-64-1 ]
[ 30011-36-0 ]
[ 915068-34-7 ]
[ 177979-08-7 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine 1.) dioxane, RT, 1 h, 2.) dioxane, RT, 13 h; Yield given. Multistep reaction;

Reference： [1]Noguchi, Michihiko; Okada, Hiroshi; Watanabe, Masanori; Okuda, Kumi; Nakamura, Osamu [Tetrahedron, 1996, vol. 52, # 19, p. 6581 - 6590]

25
[ 4083-64-1 ]
[ 88211-50-1 ]
[ 915068-34-7 ]
N-(1-But-3-ynyl-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methyl-benzenesulfonamide [ No CAS ]

Reference： [1]Tetrahedron,1996,vol. 52,p. 6581 - 6590

26
[ 5577-13-9 ]
[ 4083-64-1 ]

Reference： [1]Chemical Communications,1998,p. 2575 - 2576

27
[ 14437-03-7 ]
[ 4083-64-1 ]

Reference： [1]Chemical Communications,1998,p. 2575 - 2576

28
[ 1187-59-3 ]
[ 4083-64-1 ]
[ 207804-83-9 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1998,vol. 71,p. 1137 - 1144

29
[ 2489-13-6 ]
[ 4083-64-1 ]
C₁₆H₁₉N₅O₆S₁ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In acetone at 4℃; for 4h;

Reference： [1]Supuran, Claudiu T.; Scozzafava, Andrea; Briganti, Fabrizio; Clare, Brian W. [Journal of Medicinal Chemistry, 2000, vol. 43, # 9, p. 1793 - 1806]

30
[ 4083-64-1 ]
[ 144-80-9 ]
4-(4-tosylamidocarbonyl)-sulfacetamide [ No CAS ]

Reference： [1]Revue Roumaine de Chimie,1999,vol. 44,p. 895 - 906

31
[ 127-79-7 ]
[ 4083-64-1 ]
4-(4-tosylamidocarbonyl)-sulfamerazine [ No CAS ]

Reference： [1]European Journal of Pharmaceutical Sciences,2000,vol. 11,p. 99 - 107

32
[ 1119-34-2 ]
[ 4083-64-1 ]
α-4-toluenesulfonylureido-L-arginine hydrochloride [ No CAS ]

Reference： [1]European Journal of Pharmaceutical Sciences,2000,vol. 11,p. 325 - 332

33
[ 4083-64-1 ]
[ 95-12-5 ]
C₁₆H₁₉NO₄S [ No CAS ]

Reference： [1]Organic letters,2002,vol. 4,p. 1847 - 1849

34
[ 4083-64-1 ]
[ 109-73-9 ]
[ 64-77-7 ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 5248 - 5250
[2]Organic letters,2002,vol. 4,p. 1847 - 1849

35
[ 122406-45-5 ]
[ 4083-64-1 ]
5,11,17,23-tetrakis-tert-butyl-25,27-dimethoxy-26-(p-tolyl)sulfonylaminocarbonyl-28-hydroxycalix[4]arene [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 2769 - 2772

36
[ 67-56-1 ]
[ 4083-64-1 ]
[ 14437-03-7 ]

Reference： [1]Organic Letters,2006,vol. 8,p. 963 - 965
[2]Journal of the American Chemical Society,2009,vol. 131,p. 11701 - 11706
[3]Journal of the American Chemical Society,2008,vol. 130,p. 3316 - 3318

37
[ 3705-42-8 ]
[ 4083-64-1 ]
[ 926623-04-3 ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 787 - 789

38
[ 4083-64-1 ]
[ 1694-06-0 ]

Yield	Reaction Conditions	Operation in experiment
96.3%	With ammonia; In toluene; at -5 - 5℃; under 4500.45 Torr; for 4.0h;Inert atmosphere; Large scale;	First fill the 3000L stainless steel reactor with nitrogen to replace the air in it.Then add p-toluenesulfonyl isocyanate (Sinopec Group Chemical Reagent Co., Ltd.) (197kg, 1000mol) and toluene (1000L),Stir down the temperature to -5 to 5 C, and slowly fill in ammonia gas (136kg, 8000mol, about 0.6MPa).A white solid precipitated during the 4 h incubation reaction.Slowly vent (absorbed with 1% hydrochloric acid solution), replace with nitrogen, stop refrigeration, slowly raise the temperature to 25-30 C, and keep it for 4 hours.Filtration and washing with water to a pH of about 7 gave crude p-toluenesulfonylurea.Then add the crude p-toluenesulfonylurea to a 3000L reactorThen add 2000L of acetonitrile / water (1: 1 by volume), heat to 80 ± 5 , and reflux for 1h.Program to cool down (10 / h), drop below 20 , centrifuge,Dried to give white crystals of p-toluenesulfonylurea (209Kg, yield 96.3%),mp189.5 191.2 ,The purity was 99.9% by HPLC.

Reference： [1]Patent: CN110372545,2019,A .Location in patent: Paragraph 0028-0031; 0036-0047
[2]Journal of Organic Chemistry,1960,vol. 25,p. 352 - 356

39
[ 137756-89-9 ]
[ 4083-64-1 ]
[ 415913-36-9 ]

Yield	Reaction Conditions	Operation in experiment
100%	With pyridine; at 20℃; for 2h;	STEP 2. 4-{2-[([(4-Methylphenyl)sulfonyl]amino]carbonyl)oxy]ethyl}phenylboronic acid <strong>[137756-89-9]4-(2-Hydroxyethyl)phenylboronic acid</strong> (1.00 g, 6.02 mmol) was treated with pyridine (90 mL) and p-toluenesulfonylisocyanate (1.01 mL, 6.63 mmol) at room temperature for 2 hours. The mixture was poured into ice-2M HCl (200 mL) and extracted with ethyl acetate, and the organic fraction was dried (MgSO4). After removal of solvent, the residue was purified flash column chromatography on silica gel eluding with dichloromethane/methanol to give 2.20 g (quant.) of the title compound as white solids: MS (ESI) m/z 381 [M+NH4]+, 362 [M-H]-, 1H-NMR (DMSO-d6) delta2.40 (3H, s), 2.81 (2H, t, J=6.6 Hz), 4.18 (2H, t, J=6.6 Hz), 7.13 (2H, d, J=7.7 Hz), 7.40 (2H, d, J=8.6 Hz), 7.67-7.75 (2H, m), 7.97 (1H, s), 11.95 (1H, br).
100%	With pyridine; at 20℃; for 2h;	<strong>[137756-89-9]4-(2-hydroxyethyl)phenylboronic acid</strong> (1.00 g, 6.02 mmol) was treated with pTsNCO (1.01 ml, 6.63 mmol) and pyridine (90 ml) at room temperature for 2 hours. The mixture was poured into ice-2M HCl and extracted with EtOAc. The organic layer was dried over MgSO4, and filtered. After removal of solvent, the residue was purified by silica-gel column chromatography eluting with CH2Cl2/MeOH=20/1 to afford 2.20 g (quant.) of the title compound. [2792] 1H-NMR (DMSO-d3) delta: 11.95 (1H, br.s), 7.97 (1H, s), 7.75-7.67 (2H, m), 7.40 (2H, d, J=8.6 Hz), 7.13 (2H, d, J=7.7 Hz), 4.18 (2H, t, J=6.6 Hz), 2.81 (2H, t, J=6.6 Hz), 2.40 (3H, s) MS (ESI) m/z: 381 ([M+NH4]+), 362 ([M-H]-)
100%	In pyridine; at 20℃; for 2h;	<strong>[137756-89-9]4-(2-Hydroxyethyl)phenylboronic acid</strong> (step 1, 1.00 g, 6.02 mmol) was treated with pyridine (90 mL) and p-toluenesulfonylisocyanate (1.01 mL, 6.63 mmol) at room temperature for 2 h. The mixture was poured into ice-2 M HCl (200 mL) and extracted with ethyl acetate, (300 mL), and the organic fraction was dried (MgSO4). After removal of solvent, the residue was purified by silica-gel column chromatography eluting with dichloromethane/methanol (20:1) to give 2.20 g (quant.) of the title compound as white solids

Reference： [1]Patent: US2003/220372,2003,A1 .Location in patent: Page/Page column 29
[2]Patent: US2003/236260,2003,A1 .Location in patent: Page 114
[3]Patent: US2004/19045,2004,A1 .Location in patent: Page 52

40
[ 4083-64-1 ]
[ 5577-13-9 ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 1 Tosylurethane of a glycerol polyethertriol with a mass of 400 This compound is obtained by reaction of tosyl isocyanate of the formula STR10 which is an industrial commercial product, with the glycerol polyethertriol with a weight of 400, of the following formula: STR11 a commercial product which can be obtained by reaction between glycerol and ethylene oxide.
		EXAMPLE 10 Tosylurethane from 1-pentanol The operation is carried out as in Example 1, 66.86 g of CH3 --(CH2)4 --OH, in which the hydroxyl content is 11.34 eq/kg, being employed in place of the polyethertriol. 149.6 g of tosyl isocyanate are also employed. The total reaction time is approximately 3.5 h and the maximum temperature reached 59 C. At this temperature and at room temperature (approximately 20 C.) the product (216 g) is in the form of a translucent viscous liquid, with a slight green-yellow tint.
		EXAMPLE 11 Tosylurethane from isobutanol The operation is carried out as in Example 1, 56.7 g of (CH3)2 CH--CH2 OH, in which the hydroxyl content is 13.49 eq/kg, being employed in place of the polyethertriol. 150.86 g of tosyl isocyanate are also employed. The total reaction time is approximately 5.2 h and the maximum temperature reached 56 C. At this temperature and at room temperature (approximately 20 C.) the product (207 g) is in the form of a translucent and colourless viscous liquid.

		EXAMPLE 12 Tosylurethane from isopropanol The operation is carried out as in Example 1, 53.03 g of (CH3)2 CHOH, in which the hydroxyl content is 16.64 eq/kg, being employed in place of the polyethertriol. 174 g of tosyl isocyanate are also employed. The total reaction time is approximately 4.2 h and the maximum temperature reached 56 C. At this temperature the product (227 g) is a translucent viscous liquid with a slight green-yellow tint. At room temperature (approximately 20 C.) it is a white and opaque crystalline solid.
		EXAMPLE 13 Tosylurethane from trimethylolpropane The operation is carried out as in Example 1, 99.21 g of STR26 in which the hydroxyl content is 22.36 eq/k, being employed in place of the polyethertriol. 437.44 g of tosyl isocyanate are also employed. The total reaction time is approximately 3.8 h and the maximum temperature reached 138 C. At this temperature the product (536 g) is very viscous. At room temperature (approximately 20 C.) it is a brittle and opaque solid, slightly orangy-yellow in colour.
		EXAMPLE 14 Tosylurethane from 2-butanol The operation is carried out as in Example 1, 65.99 g of CH3 --CH2 --CHOH--CH3, in which the hydroxyl content is 13.49 eq/kg, being employed in place of the polyethertriol. 175.58 g of tosyl isocyanate are also employed. The total reaction time is approximately 4.3 h and the maximum temperature reached 53 C. At this temperature and at room temperature (approximately 20 C.) the product (241 g) is in the form of a translucent viscous liquid, with a slight green-yellow tint.
		EXAMPLE 4 Tosylurethane from 2-ethoxyethanol The operation is carried out as in Example 1, 70.39 g of 2-ethoxyethanol, in which the hydroxyl content is 11.09 eq/kg, in place of the polyethertriol. 154 g of tosyl isocyanate are also employed. The total reaction time is approximately 3.5 h and the maximum temperature reached approximately 70 C. At this temperature the product obtained (224 g) is a translucent and very viscous liquid. At room temperature (approximately 20 C.) it is a white, opaque and soft crystalline solid.
		EXAMPLE 5 Tosylurethane from trioxyethylene glycol The operation is carried out as in Example 1, 64.41 g of trioxyethylene glycol OH--[--(CH2)2 --O--]3 H, in which the hydroxyl content is 13.32 eq/kg, being employed in place of the polyethertriol. 169.2 g of tosyl isocyanate are also employed. The total reaction time is approximately 5.5 h and the maximum temperature reached approximately 95 C. At room temperature (approximately 20 C.) the product obtained (233 g) is in the form of a translucent, colourless, brittle and very slightly viscous solid.
		EXAMPLE 8 Tosylurethane from cyclohexanol The operation is carried out as in Example 1, 78.24 g of cyclohexanol, in which the hydroxyl content is 9.98 eq/kg, being employed in place of the polyethertriol. 154.1 g of tosyl isocyanate are also employed. The total reaction time is approximately 3.3 h and the maximum temperature reached 76 C. At this temperature the product (232 g) appears as a translucent and colourless viscous liquid. At room temperature (approximately 20 C.) it is a translucent and colourless solid.
		EXAMPLE 9 Tosylurethane from 1-octanol The operation is carried out as in Example 1, 88.91 g of CH3 --(CH2)7 --OH, in which the hydroxyl content is 7.67 eq/kg, being employed instead of the polyethertriol. 134.64 g of tosyl isocyanate are also employed. The total reaction time is approximately 3.5 h and the maximum temperature reached 78 c. At this temperature the product (223.5 g) is in the form of a translucent and colourless viscous liquid. At room temperature (approximately 20 C.) the product remains viscous.

Reference： [1]Patent: US5326796,1994,A
[2]Patent: US5326796,1994,A
[3]Patent: US5326796,1994,A
[4]Patent: US5326796,1994,A
[5]Patent: US5326796,1994,A
[6]Patent: US5326796,1994,A
[7]Patent: US5326796,1994,A
[8]Patent: US5326796,1994,A
[9]Patent: US5326796,1994,A
[10]Patent: US5326796,1994,A

41
[ 4083-64-1 ]
[ 6971-74-0 ]

Yield	Reaction Conditions	Operation in experiment
1.12 g (80%)	AlCl3; In benzene;	a. N-(4-Methylphenylsulfonyl)benzamide p-Toluenesulfonyl isocyanate (1.00 g, 5.07 mmol) was added to a reaction vessel containing AlCl3 (1.69 g, 12.68 mmol) and benzene (35 ml). The reaction mixture was stirred under N2 and at room temperature for 3.5 hours before it was poured into crushed ice (100 ml) containing conc HCL (25 ml). The resulting mixture was stirred for 10 min and partitioned with ether (100 ml). After the aqueous layer was separated, the remaining organic layer was washed with H2 O (250 ml) and brine (150 ml), dried (Na2 SO4) and concentrated in vacuo to give the crude product (1.40 g). Purification by ether trituration (200 ml) afforded 1.12 g (80%) of the product; TLC, Rf=0.68, CH2 Cl2:MeOH:HOAc (94.5:5:0.5).

Reference： [1]Patent: US4910190,1990,A

42
[ 4083-64-1 ]
[ 64987-08-2 ]
[ 126533-25-3 ]
[ 126533-33-3 ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide;	PREPARATION 10 Ethyl 2-(3-p-toluenesulfonylureido)thiazol-4-ylglyoxylate Following a procedure similar to that described in Preparation 1, the desired compound was prepared from 6 g of ethyl 2-aminothiazole-4-ylglyoxylate, 6 g of p-toluenesulfonyl isocyanate and 40 ml of dimethylformamide. The resulting product was a pale yellow powder having the following physical properties. Melting Point: 200 to 207 C. (with decomposition). Nuclear Magnetic Resonance Spectrum (hexadeuterated dimethyl sulfoxide) delta ppm: 1.31 (3H, triplet, J=7 Hz), 2.40 (3H, singlet), 4.35 (2H, quartet, J=7 Hz), 7.44 (2H, doublet, J=8 Hz), 7.86 (2H, doublet, J=8 Hz), 8.44 (1H, singlet), 11.10-11.65 (1H, broad singlet).

Reference： [1]Patent: US4933355,1990,A

43
[ 4083-64-1 ]
[ 25629-58-7 ]
5-chloro-2-(N-4-tolunenesulfonylcarbamoyl)3-isothiazolone [ No CAS ]
[ 121946-95-0 ]

Yield	Reaction Conditions	Operation in experiment
85.9%	In toluene;	EXAMPLE 1 Preparation of 5-chloro-2-(N-4-tolunenesulfonylcarbamoyl)3-isothiazolone (Compound 1) 4.3 parts (0.032 mol) of <strong>[25629-58-7]5-chloro-3-hydroxyisothiazole</strong> was dissolved in 50 parts of dry toluene and stirred at 25 C. To the resulting solution, 6.3 parts (0.032 mol) of p-toluenesulfonyl isocyanate dissolved in 20 parts of toluene was added. The pale yellow precipitate thus formed increased by continuously stirring. The pre-cipitate was collected by filtration. Thus, 9.14 parts (yield: 85.9%) of 5-chloro-2-(N-4-toluenesulfonylcarbamoyl)-3-isothiazolone (Compound 1) was obtained in the form of a pale yellow solid. m.p.: 125-128 C.

Reference： [1]Patent: US5045555,1991,A

44
[ 18294-87-6 ]
[ 4083-64-1 ]
N-(1-cyclohexenylacetyl)-4-methylbenzenesulfonamide [ No CAS ]

Reference： [1]Chemical Communications,2010,vol. 46,p. 9064 - 9066

45
[ 1577-18-0 ]
[ 4083-64-1 ]
[ 1262032-21-2 ]

Reference： [1]Chemical Communications,2010,vol. 46,p. 9064 - 9066

46
[ 16386-93-9 ]
[ 4083-64-1 ]
[ 1310538-67-0 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tetrahydrofuran; at 20℃; for 6h;	General procedure: To a solution of alkenoic acid 9 (1.0 equiv) in THF (0.33 M) was added p-toluenesulfonyl isocyanate (1.0 equiv), and the mixture was stirred at r.t. for 10 min. To the solution was added Et3N (1.0 equiv) and the mixture was stirred at r.t. for 6 h. Aq HCl was added to the mixture, and the resulting mixture was extracted with EtOAc (3 x). The combined organic layers were washed with brine, dried (Na2SO4), filtered, and concentrated on a rotary evaporator. The residue was subjected to short column chromatography on silica gel with EtOAc/hexane (1/2) as eluent and recrystallized from EtOAc and hexane to give 1.

Reference： [1]Angewandte Chemie - International Edition,2011,vol. 50,p. 4680 - 4683
[2]Synthesis,2017,vol. 49,p. 4272 - 4282

47
[ 4083-64-1 ]
[ 100858-32-0 ]
C₂₀H₂₂N₂O₆S [ No CAS ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 8332 - 8334

48
[ 4083-64-1 ]
[ 123-38-6 ]
[ 89570-83-2 ]
[ 1610342-76-1 ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 5153 - 5162

49
[ 5669-19-2 ]
[ 4083-64-1 ]
2-benzyl-N-tosylacrylamide [ No CAS ]

Reference： [1]Organic Letters,2017,vol. 19,p. 2869 - 2872
[2]Organic Letters,2014,vol. 16,p. 5956 - 5959
[3]Chemical Communications,2015,vol. 51,p. 342 - 345
[4]Chinese Journal of Chemistry,2019,vol. 37,p. 1036 - 1040
[5]Journal of Organic Chemistry,2020,vol. 85,p. 7225 - 7237

50
[ 4083-64-1 ]
[ 501-60-0 ]
(E)-5-methyl-2-(p-tolyldiazenyl)-N-tosylbenzamide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2015,vol. 80,p. 8026 - 8035

51
[ 4083-64-1 ]
[ 7250-68-2 ]
(E)-ethyl 4-((4-(ethoxycarbonyl)phenyl)diazenyl)-3-(tosylcarbamoyl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium acetate; silver(I) triflimide In 1,2-dichloro-ethane at 110℃; for 24h; Inert atmosphere; Sealed tube;

Reference： [1]Han, Sangil; Mishra, Neeraj Kumar; Sharma, Satyasheel; Park, Jihye; Choi, Miji; Lee, Seok-Yong; Oh, Joa Sub; Jung, Young Hoon; Kim, In Su [Journal of Organic Chemistry, 2015, vol. 80, # 16, p. 8026 - 8035]

52
[ 6640-25-1 ]
[ 4083-64-1 ]
C₁₈H₁₆ClNO₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64%	With C₈H₁₈BrI₂Sn^(2-)*BrMg⁽¹⁺⁾ In 1,2-dichloro-ethane at 80℃; for 24h; Inert atmosphere;

Reference： [1]Tsunoi, Shinji; Maruoka, Yoshiaki; Suzuki, Itaru; Shibata, Ikuya [Organic Letters, 2015, vol. 17, # 16, p. 4010 - 4013]

53
[ 4083-64-1 ]
[ 17875-18-2 ]
4-methylphenylsulfonyl-N-(3-butenylamino)carbamate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2016,vol. 14,p. 4283 - 4298

54
[ 22246-07-7 ]
[ 4083-64-1 ]
4-methyl-N-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)carbamoyl)benzenesulfonamide [ No CAS ]

Reference： [1]Journal of Enzyme Inhibition and Medicinal Chemistry,2017,vol. 32,p. 885 - 892

55
[ 156-81-0 ]
[ 4083-64-1 ]
N-[(2'-aminopyrimidin-4'-yl)carbamoyl]-4-methylbenzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	In acetonitrile; at 20℃; for 12h;	General procedure: To a solution of <strong>[156-81-0]2,4-diaminopyrimidine</strong> 9 (10 mmol, 1.10 g) in acetonitrile (15 ml), isocynate derivatives (10 mmol) was added. The reaction mixture was stirred at room temperature for 12 hr. The progress of the reaction was monitored by TLC and after completion; the precipitate formed was filtered, washed with ethanol, and dried to give the final products 10a,b.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 5071 - 5075

56
[ 37074-40-1 ]
[ 4083-64-1 ]
2-(4-bromo-3-methylphenyl)propanenitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
604 mg	With potassium tert-butylate; In 1,2-dimethoxyethane; tert-butyl alcohol; at -10 - 20℃;	<strong>[37074-40-1]1-(4-bromo-3-methylphenyl)ethanone</strong> (1g)Soluble in 20mL ethylene glycol dimethyl ether,Cool to -10 C and add 1-(isocyanatosulfonyl)-4-methylbenzene (1.37 g).Stirring was continued for 10 minutes at -10 C.Then a solution of potassium tert-butoxide (1 g) in tert-butanol (100 mL) was added.After stirring for 10 minutes, it was stirred at room temperature overnight.After the reaction was completed, 100 mL of ethyl acetate was added, and the mixture was washed with brine.After drying, concentrate under reduced pressure.The residue was separated by silica gel column chromatography (EtOAc:EtOAc:EtOAc2-(4-Bromo-3-methylphenyl)propanenitrile (604 mg) was obtained.

Reference： [1]Patent: CN108341774,2018,A .Location in patent: Paragraph 0300-0303

57
[ 4083-64-1 ]
[ 262373-15-9 ]
[ 599-86-0 ]
[ 6380-03-6 ]

Yield	Reaction Conditions	Operation in experiment
	With cesium fluoride; In acetonitrile; at 100℃; for 14h;Inert atmosphere;	General procedure: A mixture of benzyne precursor (0.1 mmol) and p-toluenesulfonyl isocyanate (0.24 equiv.) and cesium fluoride (0.3 equiv.) in acetonitrile (0.1 M) was heated at 100C for 14h. The reaction was quenched with H2O and extracted with ethyl acetate (3 x 2 ml). The combined organic extract was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel to give the desired product.

Reference： [1]Tetrahedron Letters,2018,p. 671 - 674

58
[ 4083-64-1 ]
[ 262373-15-9 ]
[ 1312448-02-4 ]
[ 599-86-0 ]

Yield	Reaction Conditions	Operation in experiment
45%; 12%	With cesium fluoride; In acetonitrile; at 100℃; for 14h;Inert atmosphere;	General procedure: A mixture of benzyne precursor (0.1 mmol) and p-toluenesulfonyl isocyanate (0.24 equiv.) and cesium fluoride (0.3 equiv.) in acetonitrile (0.1 M) was heated at 100C for 14h. The reaction was quenched with H2O and extracted with ethyl acetate (3 x 2 ml). The combined organic extract was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel to give the desired product.

Reference： [1]Tetrahedron Letters,2018,p. 671 - 674

59
[ 1079-02-3 ]
[ 4083-64-1 ]
[ 1267588-94-2 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 7869 - 7874

60
[ 5079-90-3 ]
[ 4083-64-1 ]
[ 6971-74-0 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 7869 - 7874

61
[ 4083-64-1 ]
[ 3080-99-7 ]
N-[(p-methylphenyl)sulfonyl]-2,3-dihydro-4H-1,4-benzothiazine-4-formamide [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2019,vol. 56,p. 180 - 187

62
[ 19351-18-9 ]
[ 4083-64-1 ]
2,2-dimethyl-N-[(p-methylphenyl)sulfonyl]-thiazolidine-3-formamide [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2019,vol. 56,p. 180 - 187

63
[ 4083-64-1 ]
[ 262373-15-9 ]
[ 599-86-0 ]

Yield	Reaction Conditions	Operation in experiment
12%	With cesium fluoride; In acetonitrile; at 100℃; for 14h;	General procedure: A mixture of benzyne precursor (0.1 mmol) and p-toluenesulfonyl isocyanate (0.24 equiv.) and cesium fluoride (0.3 equiv.) in acetonitrile (0.1 M) was heated at 100C for 14h. The reaction was quenched with H2O and extracted with ethyl acetate (3 x 2 ml). The combined organic extract was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel to give the desired product.

Reference： [1]Tetrahedron Letters,2019,vol. 60,p. 1213 - 1213

64
[ 6968-24-7 ]
[ 4083-64-1 ]
N-(2,6-dibromo-4-methylphenylcarbamoyl)-4-methylbenzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
52%	In acetonitrile at 20℃;	N-(arylcarbamoyl)-4-methylbenzenesulfonamide General procedure: To a solution of requisite amines (0.01mol) in acetonitrile (in case of compound 3, dichloromethane was used) (20mL), p-methylbenzenesulfonylisocyanate (0.01mol) was added while stirring at room temperature. The reaction mixture was stirred to the desired time, by following with TLC. The obtained precipitate was filtered off, washed with cold acetonitrile (two times) dried well, and recrystallized from ethanol to give:

Reference： [1]Sroor, Farid M.; Abbas, Samir Y.; Basyouni, Wahid M.; El-Bayouki, Khairy A.M.; El-Mansy, Mohamed F.; Aly, Hanan F.; Ali, Sanaa A.; Arafa, Azza F.; Haroun, Ahmed A. [Bioorganic Chemistry, 2019, vol. 92]

65
[ 694-32-6 ]
[ 4083-64-1 ]
C₁₂H₁₅N₃O₄S [ No CAS ]

Reference： [1]Tetrahedron Letters,2019,vol. 60

66
[ 611-92-7 ]
[ 4083-64-1 ]
C₂₂H₂₃N₃O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80.4%	In 5,5-dimethyl-1,3-cyclohexadiene; for 48h;Reflux;	General procedure: To a tube charged with urines (2.00 mmol) and xylene (1.25 ml) was added ArSO2NCO (4.0 mmol). The mixture was stirred under reflux till the reaction was completed, and then quenched with water and extracted with CH2Cl2 (3 * 30 mL) and dried with Na2SO4. After filtration, the mixture was concentrated and purified by flash chromatography to give the corresponding product.

Reference： [1]Tetrahedron Letters,2019,vol. 60

67
[ 80-73-9 ]
[ 4083-64-1 ]
N-(1.3-dimethylimidazolidin-2-ylidene)-4-methylbenzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
84.9%	In 5,5-dimethyl-1,3-cyclohexadiene; for 48h;Reflux;	General procedure: To a tube charged with urines (2.00 mmol) and xylene (1.25 ml) was added ArSO2NCO (4.0 mmol). The mixture was stirred under reflux till the reaction was completed, and then quenched with water and extracted with CH2Cl2 (3 * 30 mL) and dried with Na2SO4. After filtration, the mixture was concentrated and purified by flash chromatography to give the corresponding product.
84.6%	In 5,5-dimethyl-1,3-cyclohexadiene; for 48h;Reflux;	To 1,3-dimethyl-2-imidazolinone (2 mmol, 228.3 mg),P-toluenesulfonyl isocyanate (4mmol, 788.8mg) was added to a 1.25ml xylene reactor,The mixture was stirred at reflux for 48 h.After the reaction, the reaction solution was quenched by adding water,The aqueous phase was extracted with dichloromethane ((3 x 30 mL)),The organic phase obtained after extraction was fully dried with anhydrous sodium sulfate desiccant, filtered to remove the desiccant,Column chromatography after spinning (the volume ratio of ethyl acetate: petroleum ether is 2: 1),The corresponding sulfonylguanidine product was obtained as 453.5 mg of a white solid with a yield of 84.6%.

Reference： [1]Tetrahedron Letters,2019,vol. 60
[2]Patent: CN110698365,2020,A .Location in patent: Paragraph 0017; 0022-0024

68
[ 15484-46-5 ]
[ 4083-64-1 ]
C₁₃H₁₅NO₆S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
91%	In dichloromethane at 0℃;	Synthesis of compound 30 Solution of compound la (116.1 mg, 1 mmol) in 2 mL of dry DCM was cooled to 0 °C. p-Toluenesulfonyl isocyanate (205 mg, 1.05 mmol) was added to the solution. Completion of reaction was monitored by TLC. The residue was subjected to flash chromatography after removing the solvent to afford compound 30. Yield, 285 mg, 91%. ' H-NMR (400 MHz, MeOH-d4): 5(ppm) 7.85 (m, 2H),7.39 (m, 2H), 6.28(s, 1H), 5.81 (s, 1H), 4.75 (s, 2H), 3.7l(s, 3H), 2.44 (s, 3H). 13C- NMR (100 MHz, CDCft): 5(ppm) 165.38, 144.71, 136.50, 135.00, 129.19, 127.67, 127.34, 125.76, 63.62, 51.10, 20.13. MS (m/z): [M]+ calcd. for CI3HI5N06S, 313.06; found, 336.0 for [M+Na]+.

Reference： [1]Current Patent Assignee: UNIVERSITY OF MASSACHUSETTS - WO2020/6340, 2020, A1 Location in patent: Paragraph 00250

69
[ 4083-64-1 ]
[ 126208-61-5 ]
N-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]-4-methylbenzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	In dichloromethane at 20℃; for 0.333333h;	General procedure D for synthesis of N-pyrazolyl ureas. General procedure: According to a modified procedure [31], the isocyanate (1-1.7 eq) was added to a stirred solution of the 5-aminopyrazole (1 eq) in CH2Cl2(1-3 mL). The mixture was stirred at rt for the given time and then solvent was evaporated in vacuo to give the crude product.

Reference： [1]Röhm, Sandra; Schröder, Martin; Dwyer, Jessica E.; Widdowson, Caroline S.; Chaikuad, Apirat; Berger, Benedict-Tilman; Joerger, Andreas C.; Krämer, Andreas; Harbig, Jule; Dauch, Daniel; Kudolo, Mark; Laufer, Stefan; Bagley, Mark C.; Knapp, Stefan [European Journal of Medicinal Chemistry, 2020, vol. 208]

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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.
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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.
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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:
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P308	IF exposed or concerned:
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P310	Immediately call a POISON CENTER or doctor/physician.
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P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
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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.
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Storage
Code	Phrase
P401
P402	Store in a dry place.
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P413
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P422
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P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
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P501	Dispose of contents/container to ...
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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) ]}	{[ 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 -

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. 4083-64-1 ]

Quality Control of [ 4083-64-1 ]

Related Doc. of [ 4083-64-1 ]

Product Details of [ 4083-64-1 ]

Calculated chemistry of [ 4083-64-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 4083-64-1 ]

Application In Synthesis of [ 4083-64-1 ]

[ 4083-64-1 ] Synthesis Path-Upstream 1~5

[ 4083-64-1 ] Synthesis Path-Downstream 1~69

Precautionary Statements-General

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Physical hazards

Health hazards

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