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98-66-8 Usage

Chemical Properties

greyish-beige flaked solid

Uses

4-Chlorobenzenesulfonic acid was employed as anion dopants for the matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS) of neutral oligosaccharides.

General Description

4-Chlorobenzenesulfonic acid is the major polar by-product formed during the chemical synthesis of 1,1,1-trichloro-2,2-bis-(4-chlorophenyl)ethane (DDT).

Check Digit Verification of cas no

The CAS Registry Mumber 98-66-8 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 8 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 98-66:
(4*9)+(3*8)+(2*6)+(1*6)=78
78 % 10 = 8
So 98-66-8 is a valid CAS Registry Number.
InChI:InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)/p-1

98-66-8 Well-known Company Product Price

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  • Aldrich

  • (332925)  4-Chlorobenzenesulfonicacid  technical grade, 90%

  • 98-66-8

  • 332925-25G

  • 319.41CNY

  • Detail

98-66-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chlorobenzenesulfonic acid

1.2 Other means of identification

Product number -
Other names p-Chlorophenylsulfonic acid

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:98-66-8 SDS

98-66-8Synthetic route

4-Chlorobenzenesulfonamide
98-64-6

4-Chlorobenzenesulfonamide

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With dinitrogen tetraoxide In acetonitrile at -20℃; for 0.5h;100%
p-Chlorothiophenol
106-54-7

p-Chlorothiophenol

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.08333h; Micellar solution;94%
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetonitrile at 20℃;85%
4,4'-dichlorodiphenyl disulfide
1142-19-4

4,4'-dichlorodiphenyl disulfide

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1h; Micellar solution;92%
chlorobenzene
108-90-7

chlorobenzene

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With sodium hydrogensulfite; pyridinium chlorochromate In neat (no solvent) at 100℃; under 1500.15 Torr; for 0.05h; Reagent/catalyst; Microwave irradiation;89%
With sulfuric acid; silica gel at 80℃; for 0.5h;85%
With 1,3-disulfonic acid imidazolonium chloride In water at 50℃; for 0.0833333h; Green chemistry; regioselective reaction;82%
1-Chloro-4-iodobenzene
637-87-6

1-Chloro-4-iodobenzene

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; Aminoiminomethanesulfinic acid In dimethyl sulfoxide at 100℃; for 14h; Green chemistry;74%
4-sulfobenzenediazonium
2154-66-7

4-sulfobenzenediazonium

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With hydrogenchloride; copper(l) chloride at 50 - 60℃;
4-chlorobenzenesulfonyl chloride
98-60-2

4-chlorobenzenesulfonyl chloride

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With sulfuric acid at 25℃; Rate constant; Thermodynamic data; var. conc. of sulfuric acid; other reagent - H2O in dioxane;
With sodium acetate; acetic acid at 25℃; Rate constant; k = 4.33E-5/sec;
With water
chlorobenzene
108-90-7

chlorobenzene

A

chlorobenzene-2-sulfonic acid
27886-58-4

chlorobenzene-2-sulfonic acid

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
With 1,1-dichloroethane; sulfur trioxide at -12℃;
With sulfuric acid; trifluoroacetic anhydride at 10℃; for 0.166667h;A 5.4 % Chromat.
B 94.6 % Chromat.
methanol
67-56-1

methanol

ethyl chlorobenzene-p-sulphonate
20443-71-4

ethyl chlorobenzene-p-sulphonate

A

ethyl methyl ether
540-67-0

ethyl methyl ether

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

methanol
67-56-1

methanol

Benzoin-p-chlorphenylsulfonester
39503-68-9

Benzoin-p-chlorphenylsulfonester

A

benzoin monomethyl ether
3524-62-7

benzoin monomethyl ether

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
at 30 - 50℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);
methanol
67-56-1

methanol

4-Chlor-benzolsulfonsaeure-allylester
6165-74-8

4-Chlor-benzolsulfonsaeure-allylester

A

methylallylether
627-40-7

methylallylether

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;
methanol
67-56-1

methanol

methyl p-chlorobenzenesulphonate
15481-45-5

methyl p-chlorobenzenesulphonate

A

Dimethyl ether
115-10-6

Dimethyl ether

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 2-(4-chloro-phenyl)-2-oxo-1-phenyl-ethyl ester
39503-77-0

4-Chloro-benzenesulfonic acid 2-(4-chloro-phenyl)-2-oxo-1-phenyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

O-Methylmandelsaeure-p-chlorphenylester
35822-65-2

O-Methylmandelsaeure-p-chlorphenylester

Conditions
ConditionsYield
at 30 - 50℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);
methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 2-(4-methoxy-phenyl)-2-oxo-1-phenyl-ethyl ester
39503-74-7

4-Chloro-benzenesulfonic acid 2-(4-methoxy-phenyl)-2-oxo-1-phenyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

2-Methoxy-1-(4-methoxy-phenyl)-2-phenyl-ethanone

2-Methoxy-1-(4-methoxy-phenyl)-2-phenyl-ethanone

Conditions
ConditionsYield
at 30 - 50℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);
methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 1-methyl-2-phenyl-ethyl ester
134906-53-9

4-Chloro-benzenesulfonic acid 1-methyl-2-phenyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

methyl 1-phenyl-2-propyl ether
10066-31-6

methyl 1-phenyl-2-propyl ether

Conditions
ConditionsYield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;
methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 1-methyl-2-p-tolyl-ethyl ester
134906-50-6

4-Chloro-benzenesulfonic acid 1-methyl-2-p-tolyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

1-(2-Methoxy-propyl)-4-methyl-benzene

1-(2-Methoxy-propyl)-4-methyl-benzene

Conditions
ConditionsYield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;
methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 2-(4-chloro-phenyl)-1-methyl-ethyl ester
134906-56-2

4-Chloro-benzenesulfonic acid 2-(4-chloro-phenyl)-1-methyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

1-Chloro-4-(2-methoxy-propyl)-benzene

1-Chloro-4-(2-methoxy-propyl)-benzene

Conditions
ConditionsYield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;
methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 2-(4-methoxy-phenyl)-1-methyl-ethyl ester
134906-48-2

4-Chloro-benzenesulfonic acid 2-(4-methoxy-phenyl)-1-methyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

1-(4-Methoxyphenyl)-2-methoxypropane
65725-89-5

1-(4-Methoxyphenyl)-2-methoxypropane

Conditions
ConditionsYield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;
methanol
67-56-1

methanol

4-Chloro-benzenesulfonic acid 1-methyl-2-(4-nitro-phenyl)-ethyl ester
134906-59-5

4-Chloro-benzenesulfonic acid 1-methyl-2-(4-nitro-phenyl)-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

1-(2-Methoxy-propyl)-4-nitro-benzene

1-(2-Methoxy-propyl)-4-nitro-benzene

Conditions
ConditionsYield
at 65℃; Rate constant; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.); other temperatures; different ratios of acetonitrile-methanol;
methanol
67-56-1

methanol

indan-2-yl chlorobenzene-p-sulfonate

indan-2-yl chlorobenzene-p-sulfonate

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

indan-2-yl methyl ether
81887-53-8

indan-2-yl methyl ether

C

1-indene
95-13-6

1-indene

Conditions
ConditionsYield
at 45℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); var. temp.; also in the aq. MeOH;
methanol
67-56-1

methanol

5-bromoindan-2-yl chlorobenzene-p-sulfonate

5-bromoindan-2-yl chlorobenzene-p-sulfonate

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

6-bromo-1H-indene
33065-61-1

6-bromo-1H-indene

C

5-bromo-2-methoxy-2,3-dihydro-1H-indene

5-bromo-2-methoxy-2,3-dihydro-1H-indene

Conditions
ConditionsYield
at 45℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); var. temp.; also in the aq. MeOH;
methanol
67-56-1

methanol

5-nitroindan-2-yl chlorobenzene-p-sulfonate

5-nitroindan-2-yl chlorobenzene-p-sulfonate

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

6-Nitroindene
75476-80-1

6-Nitroindene

C

2-methoxy-5-nitro-2,3-dihydro-1H-indene
119273-93-7

2-methoxy-5-nitro-2,3-dihydro-1H-indene

Conditions
ConditionsYield
at 45℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); var. temp.; also in the aq. MeOH;
formic acid
64-18-6

formic acid

4-Chlor-benzolsulfonsaeure-allylester
6165-74-8

4-Chlor-benzolsulfonsaeure-allylester

A

3-formyloxy-propene
1838-59-1

3-formyloxy-propene

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;
ethanol
64-17-5

ethanol

4-Chlor-benzolsulfonsaeure-allylester
6165-74-8

4-Chlor-benzolsulfonsaeure-allylester

A

3-ethoxyprop-1-ene
557-31-3

3-ethoxyprop-1-ene

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;
ethanol
64-17-5

ethanol

indan-2-yl chlorobenzene-p-sulfonate

indan-2-yl chlorobenzene-p-sulfonate

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

2-ethoxyindan
78370-70-4

2-ethoxyindan

C

1-indene
95-13-6

1-indene

Conditions
ConditionsYield
With water at 45℃; Rate constant; var. conc. of EtOH;
ethanol
64-17-5

ethanol

5-bromoindan-2-yl chlorobenzene-p-sulfonate

5-bromoindan-2-yl chlorobenzene-p-sulfonate

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

6-bromo-1H-indene
33065-61-1

6-bromo-1H-indene

C

5-Bromo-2-ethoxy-indan

5-Bromo-2-ethoxy-indan

Conditions
ConditionsYield
With water at 45℃; Rate constant; var. conc. of EtOH;
ethanol
64-17-5

ethanol

5-nitroindan-2-yl chlorobenzene-p-sulfonate

5-nitroindan-2-yl chlorobenzene-p-sulfonate

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

6-Nitroindene
75476-80-1

6-Nitroindene

C

2-ethoxy-5-nitro-2,3-dihydro-1H-indene

2-ethoxy-5-nitro-2,3-dihydro-1H-indene

Conditions
ConditionsYield
With water at 45℃; Rate constant; var. conc. of EtOH;
2,2,2-trifluoroethanol
75-89-8

2,2,2-trifluoroethanol

4-Chlor-benzolsulfonsaeure-allylester
6165-74-8

4-Chlor-benzolsulfonsaeure-allylester

A

3-(2',2',2'-trifluoroethoxy)-prop-1-ene
1524-54-5

3-(2',2',2'-trifluoroethoxy)-prop-1-ene

B

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

Conditions
ConditionsYield
at 50℃; Rate constant; various solvents, other substituted allyl arenesulfonates;
1,1,1,3',3',3'-hexafluoro-propanol
920-66-1

1,1,1,3',3',3'-hexafluoro-propanol

4-Chloro-benzenesulfonic acid 1-methyl-2-p-tolyl-ethyl ester
134906-50-6

4-Chloro-benzenesulfonic acid 1-methyl-2-p-tolyl-ethyl ester

A

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

B

1-Methyl-4-[2-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-propyl]-benzene

1-Methyl-4-[2-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-propyl]-benzene

Conditions
ConditionsYield
at 50℃; Rate constant;
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

10,11-dimethyl-8,9,12,13-tetrahydrodiisoquinolino[1,2-a:2′,1′-k][2,9]phenanthroline-7,14-diium trifluoromethanesulfonate

10,11-dimethyl-8,9,12,13-tetrahydrodiisoquinolino[1,2-a:2′,1′-k][2,9]phenanthroline-7,14-diium trifluoromethanesulfonate

10,11-dimethyl-8,9,12,13-tetrahydrodiisoquinolino[1,2-a:2′,1′-k][2,9]phenanthroline-7,14-diium 4-chlorobenzenesulfonate

10,11-dimethyl-8,9,12,13-tetrahydrodiisoquinolino[1,2-a:2′,1′-k][2,9]phenanthroline-7,14-diium 4-chlorobenzenesulfonate

Conditions
ConditionsYield
In methanol anion-exchange resin;99%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

p-chlorobenzenesulfonyl azide
4547-68-6

p-chlorobenzenesulfonyl azide

Conditions
ConditionsYield
Stage #1: 4-chloro-benzenesulfonic acid With trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 0 - 5℃;
Stage #2: With sodium azide In tetrahydrofuran at 5 - 20℃;
98%
With sodium azide; trichloroacetonitrile; triphenylphosphine In acetonitrile at 20℃; for 0.5h;97%
With sodium azide; trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 20℃;
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

phenylacetylene
536-74-3

phenylacetylene

1-phenylvinyl 4-chlorobenzenesulfonate

1-phenylvinyl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triphenylphosphine In 1,2-dichloro-ethane at 70℃; for 2h; regioselective reaction;97.5%
With immobilized Wilkinson’s complex, RhCl(PPh3)3 supported on (diphenylphosphine) In 1,2-dichloro-ethane at 70℃; for 24h; stereoselective reaction;92.4%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triphenylphosphine In 1,2-dichloro-ethane at 70℃; for 2h; Inert atmosphere;88%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

4-chlorobenzenesulfonyl chloride
98-60-2

4-chlorobenzenesulfonyl chloride

Conditions
ConditionsYield
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; potassium chloride at 25℃; for 0.0333333h; Neat (no solvent);95%
With 1,3,5-trichloro-2,4,6-triazine; triethylamine In acetone for 20h; Heating;76%
With thionyl chloride; sulfur trioxide In N,N-dimethyl-formamide
12-tungstosilicic acid (H4 SiW12 O40.24H2 O)

12-tungstosilicic acid (H4 SiW12 O40.24H2 O)

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

dichlorodiphenyl sulfone

dichlorodiphenyl sulfone

Conditions
ConditionsYield
In chlorobenzene93%
tetrahydrofuran
109-99-9

tetrahydrofuran

(E)-1,2-diphenyl-ethene
103-30-0

(E)-1,2-diphenyl-ethene

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

4-(2-bromo-1,2-diphenylethoxy)butyl 4-chlorobenzenesulfonate

4-(2-bromo-1,2-diphenylethoxy)butyl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
With N-Bromosuccinimide at 25℃; for 24h; Inert atmosphere; diastereoselective reaction;93%
tetrahydrofuran
109-99-9

tetrahydrofuran

(E)-1,2-diphenyl-ethene
103-30-0

(E)-1,2-diphenyl-ethene

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

C24H24BrClO4S

C24H24BrClO4S

Conditions
ConditionsYield
With N-Bromosuccinimide at 25℃; for 36h;93%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

N-butylamine
109-73-9

N-butylamine

N-n-butyl-4-chlorobenzenesulfonamide
6419-73-4

N-n-butyl-4-chlorobenzenesulfonamide

Conditions
ConditionsYield
Stage #1: 4-chloro-benzenesulfonic acid With N-chlorobenzotriazole; triphenylphosphine In dichloromethane at 0 - 20℃; for 0.25h;
Stage #2: N-butylamine With triethylamine at 20℃; for 1.16667h;
92%
N-quinolin-8-yl-benzamide
33757-48-1

N-quinolin-8-yl-benzamide

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

C22H15ClN2O4S

C22H15ClN2O4S

Conditions
ConditionsYield
With peracetic acid; iodobenzene at 20℃; for 1h;92%
3,6-diiodocarbazole
57103-02-3

3,6-diiodocarbazole

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

3,6-diiodo-9-(4-toluenesulfonyl)-9H-carbazole
551951-03-2

3,6-diiodo-9-(4-toluenesulfonyl)-9H-carbazole

Conditions
ConditionsYield
With potassium hydroxide In acetone for 0.25h; Inert atmosphere; Reflux;90%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

4,4'-oxydiphenylene diamine
101-80-4

4,4'-oxydiphenylene diamine

C18H11Cl2NO5S2

C18H11Cl2NO5S2

Conditions
ConditionsYield
In ethanol; water for 0.5h; Solvent; Flow reactor; Electrolysis; Green chemistry;90%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

3-bromopropylamine hydrochloride
5003-71-4

3-bromopropylamine hydrochloride

[3-(7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)propyl]carbamic acid tert-butyl ester 4-chlorobenzenesulfonic acid salt

[3-(7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)propyl]carbamic acid tert-butyl ester 4-chlorobenzenesulfonic acid salt

Conditions
ConditionsYield
Stage #1: di-tert-butyl dicarbonate; 3-bromopropylamine hydrochloride With sodium hydroxide In water; 4-methyl-2-pentanone at 20℃; for 1.16667h;
Stage #2: 3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride With sodium hydroxide In water; 4-methyl-2-pentanone at 65℃; for 7h;
Stage #3: 4-chloro-benzenesulfonic acid In 4-methyl-2-pentanone at 5 - 60℃; for 1.5h;
89%
10-phenylphenothiabismine 5,5-dioxide

10-phenylphenothiabismine 5,5-dioxide

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

4-chlorobenzolsulfonsaeure-phenylester
2437-33-4

4-chlorobenzolsulfonsaeure-phenylester

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 4h; Heating;89%
pyridine
110-86-1

pyridine

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

pyridinium 4-chlorobenzenesulfonate
35380-50-8

pyridinium 4-chlorobenzenesulfonate

Conditions
ConditionsYield
In toluene89%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

1-azido-2-(phenylethynyl)benzene
199277-23-1

1-azido-2-(phenylethynyl)benzene

2-phenyl-1H-indol-3-yl 4-chlorobenzenesulfonate

2-phenyl-1H-indol-3-yl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
With palladium diacetate In 1,4-dioxane at 60℃; for 2h;89%
maleiimide
541-59-3

maleiimide

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

3-(4-Chloro-benzenesulfonyl)-pyrrolidine-2,5-dione
126364-20-3

3-(4-Chloro-benzenesulfonyl)-pyrrolidine-2,5-dione

Conditions
ConditionsYield
In methanol for 0.5h; Heating;88%
iodobenzene
591-50-4

iodobenzene

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

hydroxy(phenyl)-λ3-iodanyl 4-chlorobenzenesulfonate
61477-32-5

hydroxy(phenyl)-λ3-iodanyl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃; for 2h;88%
With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃; for 2h;65%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

(2-fluorophenyl)acetylene
766-49-4

(2-fluorophenyl)acetylene

1-(2-fluorophenyl)vinyl 4-chlorobenzenesulfonate

1-(2-fluorophenyl)vinyl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triphenylphosphine In 1,2-dichloro-ethane at 70℃; for 2h; Inert atmosphere;88%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

(1R,2S)-1-((R)-2,2-diethyl-1,3-dioxolanyl-4-yl)-1-((4-methoxybenzyl)oxy)pent-4-en-2-ol

(1R,2S)-1-((R)-2,2-diethyl-1,3-dioxolanyl-4-yl)-1-((4-methoxybenzyl)oxy)pent-4-en-2-ol

(1R,2S)-1-[(R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-[(4-methoxybenzyl)oxy]pent-4-en-2-yl 4-methylbenzenesulfonate

(1R,2S)-1-[(R)-2,2-diethyl-1,3-dioxolan-4-yl]-1-[(4-methoxybenzyl)oxy]pent-4-en-2-yl 4-methylbenzenesulfonate

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 48h; Inert atmosphere; Reflux;86%
3-methylthioindole
40015-10-9

3-methylthioindole

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

3-(methylthio)-N-(p-toluenesulfonyl)indole
1440957-38-9

3-(methylthio)-N-(p-toluenesulfonyl)indole

Conditions
ConditionsYield
Stage #1: 3-methylthioindole With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide In water; benzene at 20℃; for 0.166667h;
Stage #2: 4-chloro-benzenesulfonic acid In benzene for 0.666667h;
85%
tetrahydrofuran
109-99-9

tetrahydrofuran

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

benzalacetophenone
94-41-7

benzalacetophenone

4-(2-bromo-3-oxo-1,3-diphenylpropoxy)butyl 4-chlorobenzenesulfonate

4-(2-bromo-3-oxo-1,3-diphenylpropoxy)butyl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
With N-Bromosuccinimide; zinc(II) chloride for 40h; Inert atmosphere; diastereoselective reaction;84%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

acetophenone
98-86-2

acetophenone

α-(p-chlorobenzenesulfonyloxy)acetophenone
110143-20-9

α-(p-chlorobenzenesulfonyloxy)acetophenone

Conditions
ConditionsYield
With potassium peroxymonosulfate; 4-tolyl iodide In water; acetonitrile at 60℃; for 22h; Inert atmosphere;82%
With 3-chloro-benzenecarboperoxoic acid; iodobenzene In acetonitrile at 50℃; for 5h;78%
With 1-iodo-propane; 3-chloro-benzenecarboperoxoic acid In 2,2,2-trifluoroethanol; acetonitrile at 20℃; for 8h;56%
With 1,1,1-trifluoro-2-iodoethane; boron trifluoride diethyl etherate; water; 3-chloro-benzenecarboperoxoic acid In dichloromethane at 35 - 40℃; for 8h;54%
1-diazopentan-2-one
39910-26-4

1-diazopentan-2-one

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

4-Chloro-benzenesulfonic acid 2-oxo-pentyl ester
80520-45-2

4-Chloro-benzenesulfonic acid 2-oxo-pentyl ester

Conditions
ConditionsYield
In diethyl ether Ambient temperature;81%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

phenylacetylene
536-74-3

phenylacetylene

(E)-1-chloro-4-(styrylsulfonyl)benzene
16215-12-6

(E)-1-chloro-4-(styrylsulfonyl)benzene

Conditions
ConditionsYield
With copper diacetate In 1,2-dimethoxyethane at 60℃; for 8h; Inert atmosphere; stereoselective reaction;80%
4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate

dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate

monofluoromethyl 4-chlorobenzenesulfonate

monofluoromethyl 4-chlorobenzenesulfonate

Conditions
ConditionsYield
In acetone at 40℃; for 0.0833333h; Schlenk technique; Inert atmosphere;80%
3-bromo-4-chloro-5-azaindole
947238-42-8

3-bromo-4-chloro-5-azaindole

4-chloro-benzenesulfonic acid
98-66-8

4-chloro-benzenesulfonic acid

3-bromo-4-chloro-1-toluenesulfonyl-5-azaindole
947238-43-9

3-bromo-4-chloro-1-toluenesulfonyl-5-azaindole

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 3.5h;78%

98-66-8Relevant articles and documents

Aryl and alkyl sulfonic acid compounds as well as construction method adopting inorganic sulfur salt and application

-

Paragraph 0046-0049; 0072-0075, (2020/09/16)

The invention discloses aryl and alkyl sulfonic acid compounds as shown in a formula (1) and a synthesis method thereof. The method comprises the following step: aromatic iodine and an inorganic sulfur source or alkyl bromide and an inorganic sulfur source as reaction raw materials react in a solvent under the action of alkali, a catalyst or an additive to obtain a series of aryl and alkyl sulfonic acid compounds. According to the method, the aryl and alkyl sulfonic acid compounds are constructed in one step by taking an inorganic sulfur reagent as a sulfur source, so that the defect of the mode in which the aryl and alkyl sulfonic acid compounds are synthesized by taking concentrated sulfuric acid, chlorosulfonic acid or sulfur dioxide gas and the like as sulfonating reagents in the priorart is avoided. The aryl and alkyl sulfonic acid compounds developed by the invention can be used for synthesizing aryl and alkyl sulfonic acid drug analogues.

Sustainable access to sulfonic acids from halides and thiourea dioxide with air

Zhang, Hui,Wang, Ming,Jiang, Xuefeng

supporting information, p. 8238 - 8242 (2020/12/29)

A sustainable and mild one-step strategy is explored for the synthesis of aryl and alkyl sulfonic acids using a facile combination of halides and sulfur dioxide surrogates under air. The cheap industrial material thiourea dioxide was employed as an eco-friendly and easy-handling sulfur dioxide surrogate, while air was used as a green oxidant. Both aryl and alkyl sulfonic acids were obtained under transition metal-catalyzed or transition metal-free conditions. Mechanistic studies demonstrated that sulfinate was involved as an intermediate in this transformation. Notably, this protocol has been applied to the late-stage sulfonation of the drugs naproxen, isoxepac and ibuprofen.

Nucleophilic Substitution Reactions of 2,4-Dinitrophenyl X-Substituted-Benzenesulfonates and Y-Substituted-Phenyl 4-Nitrobenzenesulfonates with Azide Ion: Regioselectivity and Reaction Mechanism

Moon, Ji-Hyun,Kim, Min-Young,Han, So-Yeop,Um, Ik-Hwan

, p. 1360 - 1365 (2015/07/15)

The second-order rate constants for reactions of 2,4-dinitrophenyl X-substituted-benzenesulfonates (4a-4f) and Y-substituted-phenyl-4-nitrobenzenesulfonates (5a-5f) with N3- ion have been measured spectrophotometrically. The reactions of 4a-4f proceed through S-O and C-O bond fission pathways competitively. Fraction of the S-O bond fission decreases rapidly as the substituent X in the benzenesulfonyl moiety changes from an electron-withdrawing group to an electron-donating group. The Hammett plots for reactions of 4a-4f are linear with ρX=1.87 and 0.56 for the S-O and C-O bond fission, respectively. The fact that the substituent X is further away from the reaction site of the C-O bond fission than that of the S-O bond fission is one reason for the smaller ρX value. The nature of the reaction mechanism (i.e., a stepwise mechanism in which expulsion of the leaving group occurs after the rate-determining step) is also responsible for the smaller ρX value obtained from the C-O bond fission. The Bronsted-type plot for the reactions of 5a-5f is linear with βlg=-0.63, which is typical for reactions reported previously to proceed through a concerted mechanism. Effects of substituents X and Y on regioselectivity and reaction mechanism are discussed in detail.

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