Benzenecarboximidamide,3-bromo-, hydrochloride

Benzenecarboximidamide,3-bromo-, hydrochloride - Names and Identifiers

Name	3-Bromobenzamidine hydrochloride
Synonyms	3-Bromobenzimidamide, HCl 3-bromobenzamidinehydrochloride 3-BROMOBENZAMIDINE HYDROCHLORIDE 3-Bromobenzamidine hydrochloride 3-bromobenzimidamide hydrochloride Benzamidine, m-bromo-, monohydrochloride amino(3-bromophenyl)methaniminium chloride Benzenecarboximidamide,3-bromo-, hydrochloride
CAS	16796-52-4
InChI	InChI=1/C7H7BrN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H

Benzenecarboximidamide,3-bromo-, hydrochloride - Physico-chemical Properties

Molecular Formula	C7H8BrClN2
Molar Mass	235.51
Melting Point	129-131 °C
Boling Point	307.3°C at 760 mmHg
Flash Point	139.6°C
Vapor Presure	0.000544mmHg at 25°C
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C

Benzenecarboximidamide,3-bromo-, hydrochloride - Reference Information

Overview

3-bromobenzamidine hydrochloride is a pharmaceutical intermediate, which can be prepared from 3-bromo-benzonitrile in one step.

Preparation

1.18g(22mmol,2 equivalents) of ammonium chloride was suspended in 40ml of dry toluene under an argon atmosphere, and the mixture was cooled to 0°C. 11ml(22mmol,2 equivalents) of 2M trimethylaluminum hexane solution was added dropwise, and the reaction mixture was stirred at room temperature until no more gas production was observed. 2.0g(11mmol,1 equivalent) of 3-bromo-benzonitrile was added and the mixture was stirred overnight at a bath temperature of 80°C. Then it was cooled to 0°C and 50ml of methanol was added, followed by stirring at room temperature for 1 hour. After filtration, the solids are washed several times with methanol, the solution evaporates in vacuum to dryness and the residue is washed with methanol.

Last Update：2024-04-09 15:16:39