193673-86-8

Basic information

• Product Name: Benzeneacetic acid, 4-chloro-a-(1-hydroxy-1-methylethyl)-
• CAS NO: 193673-86-8
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.675
• Mol File: 193673-86-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzeneacetic acid, 4-chloro-a-(1-hydroxy-1-methylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 4-chloro-a-(1-hydroxy-1-methylethyl)-(193673-86-8)
• EPA Substance Registry System: Benzeneacetic acid, 4-chloro-a-(1-hydroxy-1-methylethyl)-(193673-86-8)

Safety Data

• Hazardous Substances Data: 193673-86-8(Hazardous Substances Data)

Upstream product

• 1878-66-6 4-chlorophenylacetic Acid 
• 67-64-1 acetone 
• 75-29-6 isopropyl chloride 
• 106-93-4 ethylene dibromide 

Downstream Products

• 33131-40-7 2-(4-chlorophenyl)-3-methylcrotonic acid 
• 55332-38-2 S-isopropyl-4-chlorophenylacetic acid 

Relevant articles and documents

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.