81907-78-0

Basic information

• Product Name: NCO 650
• Synonyms: (1α,4β)-4-(Guanidinomethyl)cyclohexanecarboxylic acid 4-tert-butylphenyl ester;(1α,4β)-4-[(Amidinoamino)methyl]cyclohexanecarboxylic acid 4-(1,1-dimethylethyl)phenyl ester;(1α,4β)-4-[[(Aminoiminomethyl)amino]methyl]cyclohexanecarboxylic acid 4-(1,1-dimethylethyl)phenyl ester;4α-(Guanidinomethyl)-1β-cyclohexanecarboxylic acid p-tert-butylphenyl ester;4α-(Guanidinomethyl)cyclohexane-1β-carboxylic acid p-tert-butylphenyl ester
• CAS NO: 81907-78-0
• Molecular Formula: C19H29N3O2
• Molecular Weight: 331.457
• Mol File: 81907-78-0.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 487.6°C at 760 mmHg
• Flash Point: 248.7°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 1.18E-09mmHg at 25°C
• Refractive Index: 1.571
• CAS DataBase Reference: NCO 650(CAS DataBase Reference)
• NIST Chemistry Reference: NCO 650(81907-78-0)
• EPA Substance Registry System: NCO 650(81907-78-0)

Safety Data

• Hazardous Substances Data: 81907-78-0(Hazardous Substances Data)

Usage

Originator

Batebulast,Onbio Inc.

Manufacturing Process

A mixture of 9.4 g of trans-4-guanidinomethylcyclohexanecarboxylic acid, 7.2 g of p-t-butylphenol and 10.0 g of dicyclohexylcarbodiimide was suspended in a solution of 61 ml of dry pyridine and ml of dry dimethylformamide, and the suspension was stirred at room temperature for 24 h.The solvent was removed under reduced pressure.The residue was washed and dried.There was obtained the 4’-t-butylphenyl trans-4-guanidinomethylcyclohexanecarboxylate. In practice it is usually used as hydrochloride.

Therapeutic Function

Antiallergic, Anti-asthmatic

InChI:InChI=1/C19H29N3O2/c1-19(2,3)15-8-10-16(11-9-15)24-17(23)14-6-4-13(5-7-14)12-22-18(20)21/h8-11,13-14H,4-7,12H2,1-3H3,(H4,20,21,22)