1040504-85-5

Basic information

• Product Name: (1R,2S,5R)-1-cyano-2-isopropyl-5-methylcyclohexyl (R)-2-methoxy-2-phenylacetate
• Synonyms: (1R,2S,5R)-1-cyano-2-isopropyl-5-methylcyclohexyl (R)-2-methoxy-2-phenylacetate
• CAS NO: 1040504-85-5
• Molecular Weight: 329.439
• Mol File: 1040504-85-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: (1R,2S,5R)-1-cyano-2-isopropyl-5-methylcyclohexyl (R)-2-methoxy-2-phenylacetate(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,2S,5R)-1-cyano-2-isopropyl-5-methylcyclohexyl (R)-2-methoxy-2-phenylacetate(1040504-85-5)
• EPA Substance Registry System: (1R,2S,5R)-1-cyano-2-isopropyl-5-methylcyclohexyl (R)-2-methoxy-2-phenylacetate(1040504-85-5)

Safety Data

• Hazardous Substances Data: 1040504-85-5(Hazardous Substances Data)

Upstream product

• 3966-32-3 (R)-methoxyphenylacetic acid 
• 100400-22-4 (1R,2S,5R)-1-hydroxy-2-isopropyl-5-methylcyclohexanecarbonitrile 

Relevant articles and documents

The use of a single derivative in the configurational assignment of ketone cyanohydrins

The absolute stereochemistry of ketone cyanohydrins can be easily determined by preparing a single MPA derivative. The comparison of two NMR spectra at different temperatures allows the assignment by just paying attention to the evolution of the cyanohydr

Absolute configuration of ketone cyanohydrins by 1H nmr: The special case of polar substituted tertiary alcohols

The absolute configuration of ketone cyanohydrins can be assigned from analysis of the 1H NMR spectra of the corresponding (R)-and (S)-MPA ester derivatives and use of ΔδRS signs. This is an application of the NMR methodology for ste