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63555-50-0

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63555-50-0 Usage

Uses

Methyl 3-(chlorosulfonyl)benzoate

Check Digit Verification of cas no

The CAS Registry Mumber 63555-50-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,3,5,5 and 5 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 63555-50:
(7*6)+(6*3)+(5*5)+(4*5)+(3*5)+(2*5)+(1*0)=130
130 % 10 = 0
So 63555-50-0 is a valid CAS Registry Number.
InChI:InChI=1S/C8H7ClO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3

63555-50-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-Chlorosulfonylbenzoate

1.2 Other means of identification

Product number -
Other names methyl 3-chlorosulfonylbenzoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:63555-50-0 SDS

63555-50-0Synthetic route

methanol
67-56-1

methanol

3-chlorosulfonylbenzoyl dichloride
4052-92-0

3-chlorosulfonylbenzoyl dichloride

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 13h;100%
pyridine In dichloromethane at 20℃; for 2h;92%
With pyridine In dichloromethane at 10 - 35℃; for 2h;92%
methanol
67-56-1

methanol

3-Carboxybenzenesulfonyl chloride
4025-64-3

3-Carboxybenzenesulfonyl chloride

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
Stage #1: 3-Carboxybenzenesulfonyl chloride With thionyl chloride at 20℃; for 16h; Inert atmosphere;
Stage #2: methanol at 20℃; for 2h; Inert atmosphere;
100%
Stage #1: 3-Carboxybenzenesulfonyl chloride With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1.5h; Inert atmosphere;
Stage #2: methanol In dichloromethane; N,N-dimethyl-formamide for 0.25h; Inert atmosphere;
58%
Stage #1: 3-Carboxybenzenesulfonyl chloride With thionyl chloride for 2h; Heating;
Stage #2: methanol for 0.25h;
sodium 3-(methoxycarbonyl)benzenesulfonate
2565-10-8

sodium 3-(methoxycarbonyl)benzenesulfonate

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
With thionyl chloride In N,N-dimethyl-formamide at 80℃;85%
With thionyl chloride In N,N-dimethyl-formamide at 80℃;85%
With thionyl chloride; N,N-dimethyl-formamide In N,N-dimethyl-formamide at 80℃; for 12h;
Methyl 3-aminobenzoate
4518-10-9

Methyl 3-aminobenzoate

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
Stage #1: Methyl 3-aminobenzoate With tris(bipyridine)ruthenium(II) dichloride hexahydrate; isopentyl nitrite In acetonitrile at 20℃; for 0.0833333h; Sealed tube;
Stage #2: With thionyl chloride In water; acetonitrile at 20℃; for 20h; Irradiation;
76%
Stage #1: Methyl 3-aminobenzoate With hydrogenchloride; acetic acid; sodium nitrite In water at -10 - -5℃; for 1.5h;
Stage #2: With sulfur dioxide; copper(l) chloride In water; acetic acid at 5 - 15℃; for 1h;
67%
Stage #1: Methyl 3-aminobenzoate With hydrogenchloride; sodium nitrite In water at 0℃;
Stage #2: With sulfur dioxide; acetic acid; copper(l) chloride In water at 20℃; for 3h;
42%
Stage #1: Methyl 3-aminobenzoate With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: With sulfur dioxide; acetic acid; copper dichloride In water at 0 - 20℃; for 0.666667h;
3-Carboxybenzenesulfonyl chloride
4025-64-3

3-Carboxybenzenesulfonyl chloride

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
In diethyl ether
methanol
67-56-1

methanol

m-sulfo-benzoic acid-dichloride

m-sulfo-benzoic acid-dichloride

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

3-Carboxybenzenesulfonyl chloride
4025-64-3

3-Carboxybenzenesulfonyl chloride

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

3-chlorosulfonylbenzoyl dichloride
4052-92-0

3-chlorosulfonylbenzoyl dichloride

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
With pyridine In methanol; dichloromethane
[3-(methoxycarbonyl)phenyl]boronic acid
99769-19-4

[3-(methoxycarbonyl)phenyl]boronic acid

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
With phenylchlorosulfate; C43H43NO3PPdS; sodium carbonate In acetone at 60℃; for 12h; Inert atmosphere; Sealed tube;
m-sulfobenzoic acid, monosodium salt
17625-03-5

m-sulfobenzoic acid, monosodium salt

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / 4 h / Reflux
2: thionyl chloride / N,N-dimethyl-formamide / 80 °C
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride / 20 °C / Reflux
2: thionyl chloride / N,N-dimethyl-formamide / 80 °C
View Scheme
Multi-step reaction with 2 steps
1: thionyl chloride / 24 h / Reflux
2: thionyl chloride; N,N-dimethyl-formamide / N,N-dimethyl-formamide / 12 h / 80 °C
View Scheme
9-(4-aminobutyl)-2-butoxy-8-methoxy-9H-purin-6-amine
866268-43-1

9-(4-aminobutyl)-2-butoxy-8-methoxy-9H-purin-6-amine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

2-butoxy-8-methoxy-9-[4-(3-methoxycarbonylbenzenesulfonamide)butyl]adenine
866268-90-8

2-butoxy-8-methoxy-9-[4-(3-methoxycarbonylbenzenesulfonamide)butyl]adenine

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 1.5h;100%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

2,4-difluoro-3-(7-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)aniline

2,4-difluoro-3-(7-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)aniline

methyl 3-(N-(2,4-difluoro-3-(7-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)phenyl)sulfamoyl)benzoate

methyl 3-(N-(2,4-difluoro-3-(7-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1H-indazol-6-yl)phenyl)sulfamoyl)benzoate

Conditions
ConditionsYield
With pyridine at 20℃;100%
cycloheptanamine
5452-35-7

cycloheptanamine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-(cycloheptylsulfamoyl)benzoate

methyl 3-(cycloheptylsulfamoyl)benzoate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 1h;99%
propylamine
107-10-8

propylamine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-(N-propylsulfamoyl)benzoate

methyl 3-(N-propylsulfamoyl)benzoate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0℃; for 2h;96%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

1-amino-2-propene
107-11-9

1-amino-2-propene

C11H13NO4S

C11H13NO4S

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 8h;95%
4-{[3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl]methoxy}-2-methylphenylamine

4-{[3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl]methoxy}-2-methylphenylamine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-{[(4-{[3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl]methoxy}-2-methylphenyl)amino]sulfonyl}benzoate

methyl 3-{[(4-{[3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl]methoxy}-2-methylphenyl)amino]sulfonyl}benzoate

Conditions
ConditionsYield
With pyridine In 1,4-dioxane at 20℃;93%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-(aminosulfonyl)benzoate
59777-67-2

methyl 3-(aminosulfonyl)benzoate

Conditions
ConditionsYield
With ammonia In dichloromethane at 20℃; for 2h;93%
With ammonia In dichloromethane at 20℃; for 2h;93%
With ammonia In dichloromethane at 20℃; for 2h;93%
C32H66N5O8P

C32H66N5O8P

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

C40H72N5O12PS

C40H72N5O12PS

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at -8 - 20℃; for 16h;93%
2-Iodophenol
533-58-4

2-Iodophenol

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-[(2-iodophenyl)oxysulfonyl]benzoate

methyl 3-[(2-iodophenyl)oxysulfonyl]benzoate

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 72h;91%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methylamine
74-89-5

methylamine

methyl 3-(N-methylsulfamoyl)benzoate
1094752-93-8

methyl 3-(N-methylsulfamoyl)benzoate

Conditions
ConditionsYield
With pyridine In tetrahydrofuran; dichloromethane at 0 - 20℃; Inert atmosphere;90%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-((4-methylpiperazin-1-yl)sulfonyl)benzoate
1323817-07-7

methyl 3-((4-methylpiperazin-1-yl)sulfonyl)benzoate

Conditions
ConditionsYield
With dmap; triethylamine In N,N-dimethyl-formamide at 15℃; for 2h;89%
(R)-1-phenyl-ethyl-amine
3886-69-9

(R)-1-phenyl-ethyl-amine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl (R)-3-(N-(1-phenylethyl)sulfamoyl)benzoate

methyl (R)-3-(N-(1-phenylethyl)sulfamoyl)benzoate

Conditions
ConditionsYield
Stage #1: (R)-1-phenyl-ethyl-amine With dmap; trimethylamine In dichloromethane for 0.166667h;
Stage #2: methyl 3-chlorosulfonylbenzoate In dichloromethane at 0 - 20℃; for 2h;
86%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

2-amino-5-chloro-N-[4-(6-ethoxy-benzothiazol-2-ylsulfanyl)-phenyl]-benzamide
250124-67-5

2-amino-5-chloro-N-[4-(6-ethoxy-benzothiazol-2-ylsulfanyl)-phenyl]-benzamide

3-{4-chloro-2-[4-(6-ethoxy-benzothiazol-2-ylsulfanyl)-phenylcarbamoyl]-phenylsulfamoyl}-benzoic acid methyl ester

3-{4-chloro-2-[4-(6-ethoxy-benzothiazol-2-ylsulfanyl)-phenylcarbamoyl]-phenylsulfamoyl}-benzoic acid methyl ester

Conditions
ConditionsYield
With pyridine; dmap at 60℃; Condensation;82%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

2-(4-aminobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
70034-78-5

2-(4-aminobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

methyl 3-(N-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)sulfamoyl)benzoate

methyl 3-(N-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)sulfamoyl)benzoate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran for 4h; Reflux; Inert atmosphere;82%
2,4,6-trifluoroaniline
363-81-5

2,4,6-trifluoroaniline

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

3-[N-(2,4,6-Trifluorophenyl)sulfamoyl]-benzoic acid methyl ester

3-[N-(2,4,6-Trifluorophenyl)sulfamoyl]-benzoic acid methyl ester

Conditions
ConditionsYield
With pyridine In 1,1-dichloroethane; dichloromethane81.2%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

4-[2,6-bis(trideuteriomethyl)phenyl]-6-chloropyrimidin-2-amine

4-[2,6-bis(trideuteriomethyl)phenyl]-6-chloropyrimidin-2-amine

methyl 3-[[4-[2,6-bis(trideuteriomethyl)phenyl]-6-chloropyrimidin-2-yl] sulfamoyl] benzoate

methyl 3-[[4-[2,6-bis(trideuteriomethyl)phenyl]-6-chloropyrimidin-2-yl] sulfamoyl] benzoate

Conditions
ConditionsYield
With 2-methylbutan-2-ol (lithium salt) In tetrahydrofuran at 0℃; for 2h; Inert atmosphere;80%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

C20H16ClF3N6S

C20H16ClF3N6S

C28H22ClF3N6O4S2

C28H22ClF3N6O4S2

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 1h;80%
5-amino-2-(4'-aminophenyl)-benzoxazole
13676-47-6

5-amino-2-(4'-aminophenyl)-benzoxazole

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-(N-(4-(5-((3-(methoxycarbonyl)phenyl)sulfonamido)benzo[d]oxazol-2-yl)phenyl)sulfamoyl)benzoate

methyl 3-(N-(4-(5-((3-(methoxycarbonyl)phenyl)sulfonamido)benzo[d]oxazol-2-yl)phenyl)sulfamoyl)benzoate

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 18h;74%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

aniline
62-53-3

aniline

methyl 3-[(phenylamino)sulfonyl]benzenecarboxylate
866324-02-9

methyl 3-[(phenylamino)sulfonyl]benzenecarboxylate

Conditions
ConditionsYield
With triethylamine In toluene at 20℃;72%
In toluene at 20℃;7.83 g
N-ethyl-2,3-diaza-spiro[4.4]non-3-ene-2-carboxamidine
1187966-51-3

N-ethyl-2,3-diaza-spiro[4.4]non-3-ene-2-carboxamidine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

3-{[(2,3-diaza-spiro[4.4]non-3-en-2-yl)-ethylamino-methylene]-sulfamoyl}-benzoic acid methyl ester
1187966-56-8

3-{[(2,3-diaza-spiro[4.4]non-3-en-2-yl)-ethylamino-methylene]-sulfamoyl}-benzoic acid methyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere;71%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

(S)-2-amino-N-benzyl-2-phenylacetamide
155322-81-9

(S)-2-amino-N-benzyl-2-phenylacetamide

methyl (S)-3-(N-(2-(benzylamino)-2-oxo-1-phenylethyl)sulfamoyl)benzoate

methyl (S)-3-(N-(2-(benzylamino)-2-oxo-1-phenylethyl)sulfamoyl)benzoate

Conditions
ConditionsYield
With triethylamine In toluene at 20℃;70%
indole
120-72-9

indole

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-(1H-indol-1-ylsulfonyl)benzoate
1609171-99-4

methyl 3-(1H-indol-1-ylsulfonyl)benzoate

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide In dichloromethane at 20℃; Inert atmosphere;69%
2-iodophenylamine
615-43-0

2-iodophenylamine

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-[[(2-iodophenyl)amino]sulfonyl]benzoate

methyl 3-[[(2-iodophenyl)amino]sulfonyl]benzoate

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 48h;69%
C14H13FN2O

C14H13FN2O

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl (S)-3-(N-(2-((4-fluorophenyl)amino)-2-oxo-1-phenylethyl)sulfamoyl)benzoate

methyl (S)-3-(N-(2-((4-fluorophenyl)amino)-2-oxo-1-phenylethyl)sulfamoyl)benzoate

Conditions
ConditionsYield
With triethylamine In toluene at 20℃;68%
methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

phenethylamine
64-04-0

phenethylamine

methyl 3-(N-phenethylsulfamoyl)benzoate

methyl 3-(N-phenethylsulfamoyl)benzoate

Conditions
ConditionsYield
With triethylamine In toluene at 20℃;67.6%
5'-bromo-2'-cyclopropyl-1',2'-dihydrospiro[cyclohexane-1,3'-indole]

5'-bromo-2'-cyclopropyl-1',2'-dihydrospiro[cyclohexane-1,3'-indole]

methyl 3-chlorosulfonylbenzoate
63555-50-0

methyl 3-chlorosulfonylbenzoate

methyl 3-[(5'-bromo-2'-cyclopropylspiro[cyclohexane-1,3'-indol]-1'(2'H)-yl)sulfonyl]benzoate

methyl 3-[(5'-bromo-2'-cyclopropylspiro[cyclohexane-1,3'-indol]-1'(2'H)-yl)sulfonyl]benzoate

Conditions
ConditionsYield
With pyridine at 20℃; for 17h;67%

63555-50-0Relevant articles and documents

SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY

-

Page/Page column 508, (2020/08/13)

In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured: (Formula AA) or a pharmaceutically acceptable salt thereof, wherein the variables shown in Formula A can be as defined anywhere herein.

Aryl uracil compound or agriculturally acceptable salt and preparation method thereof and herbicide composition

-

, (2019/02/03)

The invention provides an aryl uracil compound represented by a formula I (shown in the description) or agriculturally acceptable salt thereof. According to the formula I, R1 and R2 are independentlyselected from hydrogen, amino, C1-C4 alkyl or C1-C4 alkyl halide; X and Y are independently selected from hydrogen, halogen, nitryl, cyan, C1-C4 alkyl or substituted C1-C4 alkyl; R3 is selected from hydrogen, cyan or C1-C4 alkyl; and R4 is selected from cyan, nitryl, substituted or unsubstituted phenyl, substituted or unsubstituted five-membered or six-membered aromatic heterocyclic radical or a substituent group represented by a formula II (shown in the description), wherein R5 is selected from halogen, R6 and R7 are independently selected from hydrogen, halogen, C1-C4 alkyl or C1-C4 alkyl halide. The compound has the characteristics of wide weed control spectrum and high herbicidal activity. The invention further provides a preparation method of the aryl uracil compound or the agriculturally acceptable salt of the aryl uracil compound and a herbicide composition.

Nitrogen-containing heterocycle derivatives and applications thereof

-

, (2018/03/24)

The invention discloses nitrogen-containing heterocycle derivatives and applications thereof, relates to compounds of a general formula (V), a preparing method thereof and applications of the compounds in medicines, and more particularly relates to compound derivatives of compounds shown as the general formula (V), a preparing method thereof and uses of the derivatives in medicines preventing andtreating hyperlipemia, hypercholesterolemia, hypertriglyceridemia, fatty degeneration of liver, diabetes mellitus type 2, hyperglycemia, obesity or insulin resistance and metabolic syndrome and resisting antitumor, with the derivatives being adopted as therapeutic agents. The compounds disclosed by the invention can also reduce total cholesterol, LDL-cholesterol and triglyceride, can increase liver LDL receptor expression, and inhibit PCSK9 expression.

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