19735-09-2

Basic information

• Product Name: (+/-)-ethyl 4-cyano-5-methyl-4-phenylhexanoate
• Synonyms: (+/-)-ethyl 4-cyano-5-methyl-4-phenylhexanoate
• CAS NO: 19735-09-2
• Molecular Weight: 259.348
• Mol File: 19735-09-2.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: (+/-)-ethyl 4-cyano-5-methyl-4-phenylhexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: (+/-)-ethyl 4-cyano-5-methyl-4-phenylhexanoate(19735-09-2)
• EPA Substance Registry System: (+/-)-ethyl 4-cyano-5-methyl-4-phenylhexanoate(19735-09-2)

Safety Data

• Hazardous Substances Data: 19735-09-2(Hazardous Substances Data)

Upstream product

• 140-29-4 phenylacetonitrile 
• 5558-29-2 3-methyl-2-phenyl-butyronitrile 
• 140-88-5 ethyl acrylate 

Downstream Products

• 294198-21-3 4-Cyano-5-methyl-4-phenylhexanol 
• 92250-60-7 (+/-)-4-cyano-5-methyl-4-phenylhexanoic acid 

Relevant articles and documents

Discovery of novel neuronal voltage-dependent calcium channel blockers based on emopamil left hand as a bioactive template

A series of novel neuronal voltage-dependent calcium channel (VDCC) blockers, with inhibitory activity at low micromolar and moderate solubility in water, was discovered by constructing and screening a focused library based on emopamil (1) left hand (ELH)

Practical synthesis of chiral emopamil left hand as a bioactive motif.

An asymmetric synthesis of (2S)-2-(2-isopropyl)-5-hydroxy-2-phenylpentanenitrile (emopamil left hand, 2) has been completed by use of the MAD (methyl aluminum bis(4-methyl-2,6-di-tert-butylphenoxide)-induced rearrangement of a chiral epoxyalcohol as the key reaction. The stereochemistry of the chiral quaternary center was confirmed by transformation of 2 to (S)-noremopamil. This method requires minimal purification procedures and affords high chemical and optical yields. Acid-catalyzed isomerization of an allylaldehyde and retro-aldol type racemization at the quaternary carbon of a nitrile-alcohol were encountered.

NITRILE DERIVATIVES

The present invention provides a novel nitrile compound useful as an intermediate for the production of, for example, N,N-substituted cyclic amine derivatives or phenylacetonitrile derivatives that are useful as a medicine. Specifically it provides a nitrile carboxylic acid compound, nitrile ester compound and nitrile alcohol compound. That is, it provides a nitrile compound represented by the following formula (I): wherein R1 and R2 means substituents; m means 0 or an integer of from 1 to 6; n means 0 or an integer of from 1 to 5; and R3 means carboxyl group, a lower alkoxycarbonyl group or hydroxymethyl group.