140400-37-9

Basic information

• Product Name: Butanoic acid, 2-[(4-chlorophenyl)thio]-3-methyl-
• CAS NO: 140400-37-9
• Molecular Formula: C11H13ClO2S
• Molecular Weight: 244.73800
• Mol File: 140400-37-9.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Butanoic acid, 2-[(4-chlorophenyl)thio]-3-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, 2-[(4-chlorophenyl)thio]-3-methyl-(140400-37-9)
• EPA Substance Registry System: Butanoic acid, 2-[(4-chlorophenyl)thio]-3-methyl-(140400-37-9)

Safety Data

• Hazardous Substances Data: 140400-37-9(Hazardous Substances Data)

Upstream product

• 10323-40-7 2-bromoisovaleric acid 
• 18803-44-6 sodium p-chlorothiophenolate 
• 106-54-7 p-Chlorothiophenol 

Downstream Products

• 1027049-22-4 2-(4-Chloro-phenylsulfanyl)-3-methyl-butyryl chloride 
• 134649-64-2 2-(4-Chloro-benzenesulfonyl)-3-methyl-butyric acid 

Relevant articles and documents

Enantioselective Synthesis of α-Thiocarboxylic Acids by Nitrilase Biocatalysed Dynamic Kinetic Resolution of α-Thionitriles

The enantioselective synthesis of α-thiocarboxylic acids by biocatalytic dynamic kinetic resolution (DKR) of nitrile precursors exploiting nitrilase enzymes is described. A panel of 35 nitrilase biocatalysts were screened and enzymes Nit27 and Nit34 were found to catalyse the DKR of racemic α-thionitriles under mild conditions, affording the corresponding carboxylic acids with high conversions and good-to-excellent ee. The ammonia produced in situ during the biocatalytic transformation favours the racemization of the nitrile enantiomers and, in turn, the DKR without the need of any external additive base.

SYNTHESIS OF 2-ARYLSULFONYLISOVALERIC ACIDS

Following the rules of a systematic QSAR study aimed at designing new, more potent sweeteners, the synthesis of 2-arylsulfonylisovaleric acids was carried out.