3996-38-1

Basic information

• Product Name: 2-(3-chlorophenylthio)acetic acid
• Synonyms: 2-(3-chlorophenylthio)acetic acid
• CAS NO: 3996-38-1
• Molecular Formula: C₈H₇ClO₂S
• Molecular Weight: 202.65798
• Mol File: 3996-38-1.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(3-chlorophenylthio)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-chlorophenylthio)acetic acid(3996-38-1)
• EPA Substance Registry System: 2-(3-chlorophenylthio)acetic acid(3996-38-1)

Safety Data

• Hazardous Substances Data: 3996-38-1(Hazardous Substances Data)

Usage

Molecular Structure

Consists of a thioether group attached to a phenyl ring and an acetic acid moiety.

Usage

Often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals.

Potential Applications

Has potential applications in the field of medicinal chemistry due to its ability to form bioactive derivatives.

Building Block

May be used as a building block in the development of novel compounds for various industrial and research purposes.

Reagent

May have potential uses in the field of organic chemistry as a reagent for the synthesis of complex molecules.

Upstream product

• 2037-31-2 3-chlorophenylthiol 
• 79-11-8 chloroacetic acid 
• 141819-39-8 ethyl 2-(3-chlorophenylthio)acetate 
• 68-11-1 mercaptoacetic acid 

Downstream Products

• 13150-73-7 3-chlorophenyl methyl sulfoxide 
• 21383-00-6 3-chlorophenyl methyl sulfone 
• 1388725-86-7 8-{[(3-chlorophenyl)sulfanyl]methyl}caffeine 
• 18757-55-6 {AgC₈H₇ClO₂S}⁽¹⁺⁾ 
• 2037-31-2 3-chlorophenylthiol 
• 3938-05-4 3-Chlor-phenylsulfonylessigsaeure 
• 3996-50-7 (3-chloro-benzenesulfinyl)-acetic acid 
• 298-12-4 Glyoxilic acid 
• 19742-92-8 bis(3-chlorophenyl) disulfide 
• 52038-75-2 6-chloro-benzo[b]thiophen-3-one 

Relevant articles and documents

RETRACTED ARTICLE: Design, synthesis, and biological evaluation of heterotetracyclic quinolinone derivatives as anticancer agents targeting topoisomerases

A series of thiochromeno[2,3-c]quinolin-12-one derivatives with various substitutions were synthesized and evaluated as topoisomerase (Topo) inhibitors. Six (8, 10, 12, 14, 19, and 26) of 23 compounds showed strong inhibitory activities against Topo-media

FMS-LIKE TYROSINE KINASE INHIBITORS

The present invention relates to Fms-like tyrosine kinase (FLT3) inhibitors. The present invention provides novel 4-quinolinone derivatives used as FLT3 inhibitors and for treatment and/or prevention of tumors.

Electrophilic and nucleophilic pathways in ligand oxide mediated reactions of phenylsulfinylacetic acids with oxo(salen)chromium(V) complexes

The mechanism of oxidative decarboxylation of phenylsulfinylacetic acids (PSAA) by oxo(salen)Cr(V)+ ion in the presence of ligand oxides has been studied spectrophotometrically in acetonitrile medium. Addition of ligand oxides (LO) causes a red shift in the λmax values of oxo(salen) complexes and an increase in absorbance with the concentration of LO along with a clear isobestic point. The reaction shows first-order dependence on oxo(salen)-chromium(V)+ ion and fractional-order dependence on PSAA and ligand oxide. Michaelis-Menten kinetics without kinetic saturation was observed for the reaction. The order of reactivity among the ligand oxides is picoline N-oxide > pyridine N-oxide > triphenylphosphine oxide. The low catalytic activity of TPPO was rationalized. Both electron-withdrawing and electron-donating substituents in the phenyl ring of PSAA facilitate the reaction rate. The Hammett plots are non-linear upward type with negative ρ value for electron-donating substituents, (ρ- = -0.740 to -4.10) and positive ρ value for electron-withdrawing substituents (ρ+ = +0.057 to +0.886). Non-linear Hammett plot is explained by two possible mechanistic scenarios, electrophilic and nucleophilic attack of oxo(salen)chromium(V)+-LO adduct on PSAA as the substituent in PSAA is changed from electron-donating to electron-withdrawing. The linearity in the log k vs. Eox plot confirms single-electron transfer (SET) mechanism for PSAAs with electron-donating substituents.