298702-31-5

Basic information

• Product Name: (S)-(+)-cyano(3-phenoxyphenyl)methyl butyrate
• Synonyms: (S)-(+)-cyano(3-phenoxyphenyl)methyl butyrate
• CAS NO: 298702-31-5
• Molecular Weight: 295.338
• Mol File: 298702-31-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (S)-(+)-cyano(3-phenoxyphenyl)methyl butyrate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-(+)-cyano(3-phenoxyphenyl)methyl butyrate(298702-31-5)
• EPA Substance Registry System: (S)-(+)-cyano(3-phenoxyphenyl)methyl butyrate(298702-31-5)

Safety Data

• Hazardous Substances Data: 298702-31-5(Hazardous Substances Data)

Upstream product

• 123-20-6 vinyl n-butyrate 
• 61066-87-3 alpha-cyano-3-phenoxybenzyl acetate 
• 120838-94-0 (R,S)-cyano(3-phenoxyphenyl)methyl butyrate 

Downstream Products

• 66230-04-4 esfenvalerate 
• 67614-32-8 (R)-α-cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate 
• 39515-47-4 (S)-m-phenoxybenzaldehyde cyanohydrin 

Relevant articles and documents

'Gelozymes' in organic synthesis. Part 2: Candida rugosa lipase mediated synthesis of enantiomerically pure (S)-cyano(3-phenoxyphenyl)methyl butyrate

Significant changes in enantioselectivity (E) have been observed when the butanoate ester of (±)-1-hydroxy-1-(3-phenoxyphenyl)acetonitrile was subjected to hydrolysis in acetate buffer (pH 4.5, E = 6.4) and alcoholysis with 1-butanol in hexane catalysed by Candida rugosa lipase (E = 45). Enantiomerically pure (S)-butanoate ester so obtained (e.e. 98.4%) was converted to the corresponding (S)-cyanohydrin using Pseudomonas cepacia (Amano Ps) gelozyme. This strategy overcomes the problem of separation of the unwanted (R)-ester from the (S)-cyanohydrin.