Ethanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)-

Ethanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)- - Names and Identifiers

Name	1-(chloroacetyl)azepane
Synonyms	1-(chloroacetyl)azepane 1-Azepan-1-yl-2-chloro-ethanone 1-(1-azepanyl)-2-chloroethanone 1-(Azepan-1-yl)-2-chloroethanone 1-(azepan-1-yl)-2-chloroethan-1-one 1H-azepine, 1-(chloroacetyl)hexahydro- Ethanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)-
CAS	52227-33-5
InChI	InChI=1/C8H14ClNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2

Ethanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)- - Physico-chemical Properties

Molecular Formula	C8H14ClNO
Molar Mass	175.66
Density	1.112±0.06 g/cm3(Predicted)
Boling Point	91 °C(Press: 0.36 Torr)
Flash Point	127.9°C
Vapor Presure	0.00243mmHg at 25°C
pKa	-0.95±0.20(Predicted)
Refractive Index	1.485

Ethanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)- - Risk and Safety

Hazard Class

IRRITANT

Ethanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)- - Introduction

1-(chloroacetyl)azepane, also known as 1-(chloroacetyl)azepane, is an organic compound.

Nature:
1-(chloroacetyl)azepane is a colorless to pale yellow liquid. It has a molecular formula of C9H15ClNO and a molecular weight of 185.67g/mol. It has low volatility and flammability.

Use:
1-(chloroacetyl)azepane are widely used in organic synthesis reactions. It is often used as an acylating agent and can react with amines to form amides. In addition, it can also be used as a pharmaceutical intermediate and a chemical reagent.

Preparation Method:
1-(chloroacetyl)azepane is usually prepared by the following steps:
1. reaction heptanoic acid and bromoacetic acid to generate bromoacetic acid heptyl ester.
2. under the catalysis of base, heptyl bromoacetate reacts with aminoethanol to generate 1-amino cycloheptyl -1-alcohol heptanoate.
3.1-amino cycloheptyl -1-alcohol heptanoate is reacted with chloroacetic acid to generate 1-amino cycloheptyl -1-yl -2-chloro-acetic acid.
4.1-amino cycloheptyl -1-base -2-chloro-acetic acid is hydrolyzed under the catalysis of base to generate 1-(chloroacetyl)azepane.

Safety Information:
1-(chloroacetyl)azepane is an irritant substance. Contact with the skin, eyes, or respiratory tract may cause irritation and inflammation. It must be used in a well-ventilated area and avoid inhalation, ingestion or contact with skin and eyes. Appropriate protective equipment should be worn during use. If necessary, consult a doctor.

Last Update：2024-04-09 02:00:46