127641-47-8

Basic information

• Product Name: Benzeneacetic acid, a-(1-Methylethyl)-, Methyl ester, (S)-
• Synonyms: Benzeneacetic acid, a-(1-Methylethyl)-, Methyl ester, (S)-
• CAS NO: 127641-47-8
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25424
• Mol File: 127641-47-8.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzeneacetic acid, a-(1-Methylethyl)-, Methyl ester, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, a-(1-Methylethyl)-, Methyl ester, (S)-(127641-47-8)
• EPA Substance Registry System: Benzeneacetic acid, a-(1-Methylethyl)-, Methyl ester, (S)-(127641-47-8)

Safety Data

• Hazardous Substances Data: 127641-47-8(Hazardous Substances Data)

Upstream product

• 72615-27-1 2-phenyl-3-methylbutyric acid methyl ester 
• 3508-94-9 3-methyl-2-phenylbutyric acid 
• 18107-18-1 diazomethyl-trimethyl-silane 

Relevant articles and documents

Rational design of CH/π interaction sites in a basic resolving agent

A novel synthetic basic resolving agent, cis-1-aminobenz[f]indan-2-ol (ABI), was rationally designed by introducing effective CH/π interaction sites to cis-1-aminoindan-2-ol (AI), whose chiral recognition ability has been reported from our laboratory. ABI was applicable to a wide variety of racemic arylalkanoic acids and showed moderate to excellent chiral recognition ability, which was obviously higher than that of AI. The fundamental and important role of CH/π interactions, such as tunable CH(sp2)/π and CH(sp 3)/π interactions, in the chiral recognition by ABI was revealed by X-ray crystallographic study.

ENZYMATIC RESOLUTION OF METHYL 2-ALKYL-2-ARYLACETATES

Horse liver esterase, used as its inexpensive commercial acetone powder, catalyzes the selective hydrolysis of methy 2-alkyl-2-arylacetates to afford R(-)-2-alkyl-2-arylacetic acids and S(+)-methyl 2-alkyl-2-arylacetates.