3405-89-8

Basic information

• Product Name: 2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID
• Synonyms: RARECHEM AL BO 0476;TIMTEC-BB SBB008563;IFLAB-BB F0722-0258;4-CHLOROPHENYLSULFONYLACETIC ACID;(4-CHLORO-BENZENESULFONYL)-ACETIC ACID;AKOS BBS-00002849;2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID;(4-CHLOROBENZENESULPHONYL)ACETIC ACID
• CAS NO: 3405-89-8
• Molecular Formula: C₈H₇ClO₄S
• Molecular Weight: 234.66
• Mol File: 3405-89-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 121-123°C
• Boiling Point: 472.1 °C at 760 mmHg
• Flash Point: 239.3 °C
• Appearance: /
• Density: 1.52 g/cm³
• Vapor Pressure: 1.02E-09mmHg at 25°C
• CAS DataBase Reference: 2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID(3405-89-8)
• EPA Substance Registry System: 2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID(3405-89-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 3405-89-8(Hazardous Substances Data)

Usage

General Description

2-[(4-Chlorophenyl)sulfonyl]acetic acid is a chemical compound with the molecular formula C8H7ClO4S. It is an organic sulfonate with a sulfonyl group attached to a phenyl ring and an acetic acid moiety. 2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID is commonly used in the synthesis of pharmaceuticals and agrochemicals due to its ability to act as a building block for various biologically active molecules. It functions as a sulfonylating reagent and is also known to exhibit anti-inflammatory and analgesic properties. Additionally, it has potential applications as a precursor in the production of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic compounds.

InChI:InChI=1/C8H7ClO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1

Upstream product

• 14752-66-0 sodium p-chlorobenzenesulphinate 
• 3926-62-3 sodium monochloroacetic acid 
• 15446-25-0 methyl 4-chlorophenylsulphinylacetate 
• 106-54-7 p-Chlorothiophenol 
• 52377-68-1 ethyl 2-(p-chlorophenylthio)acetate 
• 79-11-8 chloroacetic acid 
• 105-39-5 chloroacetic acid ethyl ester 
• 3996-47-2 4-Chlorophenylsulfenylacetic acid 
• 3636-65-5 ethyl 2-((4-chlorophenyl)sulfonyl)acetate 
• 3405-88-7 (4-chlorophenylthio)acetic acid 

Downstream Products

• 3636-65-5 ethyl 2-((4-chlorophenyl)sulfonyl)acetate 
• 102582-97-8 (4-Chloro-benzenesulfonyl)-acetic acid; compound with 2-diethylamino-ethanol 
• 56267-65-3 2-Bromo-4-[(E)-2-(4-chloro-benzenesulfonyl)-vinyl]-1-methoxy-benzene 
• 86971-43-9 (E)-4-methylstyryl 4-chlorophenyl sulfone 
• 56267-73-3 (E)-1-(2-((4-chlorophenyl)sulfonyl)vinyl)-4-fluorobenzene 
• 6178-26-3 (E)-4-chlorostyryl 4-chlorophenyl sulfone 
• 16215-12-6 (E)-1-chloro-4-(styrylsulfonyl)benzene 
• 56267-67-5 2,4-Dichloro-1-[(E)-2-(4-chloro-benzenesulfonyl)-vinyl]-benzene 
• 76859-78-4 (E)-1-(2-((4-chlorophenyl)sulfonyl)vinyl)-3-chlorobenzene 
• 56267-64-2 (E)-4-bromostyryl 4-chlorophenyl sulfone 
• 56267-69-7 1-[(E)-2-(4-Chloro-benzenesulfonyl)-vinyl]-2,3-dimethoxy-benzene 
• 175178-88-8 2-(4-chlorophenylsulfonyl)acetate of tris(2-hydroxylethyl)ammonium 

Relevant articles and documents

Modular Synthesis of Carbon-Substituted Furoxans via Radical Addition Pathway. Useful Tool for Transformation of Aliphatic Carboxylic Acids Based on "build-and-Scrap" Strategy

Utilizing radical chemistry, a new general C-C bond formation on the furoxan ring was developed. By taking advantage of the lability of furoxans, a wide variety of transformation of the synthesized furoxans have been demonstrated. Thus, this developed methodology enabled not only the modular synthesis of furoxans but also short-step transformations of carboxylic acids to a broad range of functional groups.

Synthesis and antioxidant activity of bis unsaturated sulfones, bis pyrroles, and bis pyrazoles

The Michael acceptor 1,4-bis-(E)-2-(arylsulfonylvinyl)benzene was exploited to prepare a new series of bis heterocycles-(1,4-phenylene)bis(arylsulfonylpyrrole) and (1,4-phenylene)bis(arylsulfonyl pyrazole). All of the compounds were tested for antioxidant activity. Amongst the tested compounds, 1,4-bis-(E)-2-(arylsulfonylvinyl)benzene (5) was found to be the best potential antioxidant agent.

Mass spectra of arylsulphonylacetic acids and correlation of fragment ions with substituent constants

The mass spectral studies of arylsulphonylacetic acids reveal that the skeletal rearrangement via aryl-oxygen bond formation is predominant with a weak competing alkyl migration.A linear correlation is obtained between the intensities of + ions, i.e. +> and the Hammett substituent constants.