80139-87-3

Basic information

• Product Name: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate
• Synonyms: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate;1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid phenylmethyl ester;Einecs 279-404-6
• CAS NO: 80139-87-3
• Molecular Formula: C33H35FN2O2
• Molecular Weight: 510.6416032
• EINECS: 279-404-6
• Mol File: 80139-87-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 631.1°C at 760 mmHg
• Flash Point: 335.5°C
• Appearance: /
• Density: 1.2g/cm³
• Vapor Pressure: 7.8E-16mmHg at 25°C
• Refractive Index: 1.61
• CAS DataBase Reference: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate(80139-87-3)
• EPA Substance Registry System: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate(80139-87-3)

Safety Data

• Hazardous Substances Data: 80139-87-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C33H35FN2O2/c1-25-22-36(30-16-18-32(24-35,19-17-30)27-12-14-29(34)15-13-27)21-20-33(25,28-10-6-3-7-11-28)31(37)38-23-26-8-4-2-5-9-26/h2-15,25,30H,16-23H2,1H3

Upstream product

• 74572-07-9 (S)-1-((2-hydroxyethyl)amino)propan-2-ol 
• 56326-98-8 1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile 
• 83898-25-3 (3S,4R)-benzyl 3-methyl-4-phenyl-1-tosylpiperidine-4-carboxylate 

Relevant articles and documents

Practical and sustainable synthesis of optically pure levocabastine, a H1 receptor antagonist

A practical and sustainable method for the synthesis of levocabastine hydrochloride (1), a H1 receptor antagonist for the treatment of allergic conjunctivitis, that can be applied to the industrial production of the compound has been developed. Substantial improvements over the previously reported procedure are achieved via efficient preparation of an optically active key intermediate (5) without chiral resolution and with a more effective detosylation, which complements the previous procedure. Notably, our process requires no chromatographic purification and provides levocabastine hydrochloride in greater than 99.5% purity in a 14.2% overall yield.