33131-40-7

Basic information

• Product Name: Benzeneacetic acid, 4-chloro-a-(1-methylethylidene)-
• CAS NO: 33131-40-7
• Molecular Formula: C11H11ClO2
• Molecular Weight: 210.66
• Mol File: 33131-40-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzeneacetic acid, 4-chloro-a-(1-methylethylidene)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 4-chloro-a-(1-methylethylidene)-(33131-40-7)
• EPA Substance Registry System: Benzeneacetic acid, 4-chloro-a-(1-methylethylidene)-(33131-40-7)

Safety Data

• Hazardous Substances Data: 33131-40-7(Hazardous Substances Data)

Upstream product

• 1878-66-6 4-chlorophenylacetic Acid 
• 67-64-1 acetone 
• 7487-88-9 magnesium sulfate 
• 193673-86-8 2-(p-chlorophenyl)-3-hydroxy-3-methylbutyric acid 
• 34966-48-8 ethyl 2-(4-chlorophenyl)-2-oxoacetate 
• 33131-18-9 ethyl 2-(4-chlorophenyl)-3-methylbut-2-enoate 

Downstream Products

• 55332-38-2 S-isopropyl-4-chlorophenylacetic acid 
• 63640-09-5 (R)-2-(4-chlorophenyl)-3-methylbutyric acid 

Relevant articles and documents

Iridium-catalyzed enantioselective hydrogenation of α,β- unsaturated carboxylic acids with tetrasubstituted olefins

A highly efficient asymmetric hydrogenation of α,β-unsaturated carboxylic acids with tetrasubstituted olefin catalyzed by chiral spiro iridium complexes has been developed for the preparation of chiral α-substituted carboxylic acids in excellent enantioselectivities (up to 99% ee).

Practical synthesis of (S)-2-(4-fluorophenyl)-3-methylbutanoic acid, key building block for the calcium antagonist Mibefradil

A short, technically feasible route was developed for the synthesis of (S)-2-(4-fluorophenyl)-3-methylbutanoic acid (S)-2 with an overall yield of 80% starting from 4-fluorophenylacetic acid. Asymmetric hydrogenation of the easily accessible unsaturated acid 3 in the presence of ruthenium(II) carboxylato complexes containing chiral atropisomeric diphosphines afforded (S)-2 in up to 94% ee. The ee of (S)-2 was upgraded to 98% by crystallization of its sodium salt. The same protocol was also applied to the synthesis of (S)-2-(4-chlorophenyl)-3-methylbutanoic acid.