1-(2-Chloroethyl)azepane hydrochloride Chemical Properties

Melting point:

208-210°C

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to crystal

color 

White to Almost white

Sensitive 

Hygroscopic

BRN 

3680388

InChI

InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H

InChIKey

ZQDSOUPBYJIPNM-UHFFFAOYSA-N

SMILES

N1(CCCl)CCCCCC1.Cl

CAS DataBase Reference

26487-67-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

20/22-36/37-39-52-22-36/38-20

Safety Statements 

22-26-36/37/39-51-20/21

RIDADR 

2811

RTECS 

CM3185000

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29339900

Toxicity

mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00612,

MSDS

• Language:English Provider:ALFA

1-(2-Chloroethyl)azepane hydrochloride Usage And Synthesis

Uses

1-(2-Chloroethyl)azepane hydrochloride is a key intermediate of bazedoxifene and setastine.

Synthesis

General procedure for the synthesis of 2-(cyclohexylimino)ethyl chloride hydrochloride from 1-(2-chloroethyl)azepane: 165.9 g of isopropanol was added to the reaction system, and dry hydrogen chloride gas was slowly vented under stirring until the pH of the reaction system was ≤2.5 when the venting was stopped. The reaction mixture was heated to a maximum of 80 °C with continuous stirring for 30 minutes. Subsequently, 2.8 g of activated carbon was added and stirring was continued for 30 minutes. Upon completion of the reaction, thermal filtration was performed to remove the activated carbon. The filtrate was cooled to 0-5°C and left to crystallize for 8 hours. Upon completion of crystallization, the solid product was collected by filtration and dried to give 53.1 g of N-(2-chloroethyl)hexamethyleneimine hydrochloride in 84.5% yield. The purity of the product N-(2-chloroethyl)hexamethyleneimine hydrochloride was tested to be 98.6%.

References

[1] Patent: CN104693144, 2016, B. Location in patent: Paragraph 0030; 0033

1-(2-Chloroethyl)azepane hydrochloride(26487-67-2)Related Product Information

• 1-(2-CHLOROETHYL) HEXAMETHYLENIMINE
• ACETIC ACID 2,2-DICHLORO-1-(2-OXO-AZEPAN-1-YL)-ETHYL ESTER
• 2-Chloroethyldimethylamine
• 2-Dimethylaminoethyl chloride hydrochloride
• 1-(2,2-DICHLORO-1-HYDROXY-ETHYL)-AZEPAN-2-ONE
• 1-ETHYLHOMOPIPERAZINE
• Hexamethyleneimine
• N-METHYLHEXAMETHYLENEIMINE
• 2-Diethylaminoethylchloride hydrochloride
• (2-CHLORO-ETHYL)-DIETHYL-AMINE
• 2-(HEXAMETHYLENEIMINO)ETHYL CHLORIDE HYDROCHLORIDE