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| | 1-(2-Chloroethyl)azepane hydrochloride Basic information |
| Product Name: | 1-(2-Chloroethyl)azepane hydrochloride | | Synonyms: | 1-(2-chloroethyl)-hexahydro-1h-azepinehydrochloride;hexahydro-1-(2-chloroethyl)-1h-azepinhydrochloride;2-CHLOROETHYLHEXAMETHYLENE IMINE HCL;2-CHLOROETHYLHEXAMETHYLENEMINE HYDROCHLORIDE;2-ChloroethylhexamethyleneImineHcl99%;2-Chloroethylhexamethylene Imine Hcl 99%;N-(2-CHLOROETHYL)HEXAHYDRO-1H-AZEPINE HYDROCHLORIDE;N-(2-chloroethyl)perhydroazepine hydrochloride | | CAS: | 26487-67-2 | | MF: | C8H17Cl2N | | MW: | 198.13 | | EINECS: | 247-733-4 | | Product Categories: | Miscellaneous | | Mol File: | 26487-67-2.mol |  |
| | 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) |
| 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 | | WGK Germany | WGK 3 | | RTECS | CM3185000 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29339900 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Aquatic Chronic 3 | | Toxicity | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00612, |
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ALFA
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| | 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 Preparation Products And Raw materials |
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