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N-Benzyl-bis(2-chloroethyl)amine hydrochloride

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N-Benzyl-bis(2-chloroethyl)amine hydrochloride manufacturers

N-Benzyl-bis(2-chloroethyl)amine hydrochloride Basic information
Product Name:N-Benzyl-bis(2-chloroethyl)amine hydrochloride
Synonyms:n,n-bis(2-chloroethyl)-benzylaminhydrochloride;N-BENZYL-N,N-BIS(2-CHLOROETHYL)AMINE HCL;N-BENZYL-N,N-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE;N-BENZYL-N,N-DI(2-CHLOROETHYL)AMINE HYDROCHLORIDE;N-BENZYL-BIS(2-CHLOROETHYL)AMINE HCL;N-BENZYL-2-CHLORO-N-(2-CHLOROETHYL)-1-ETHANAMINIUM CHLORIDE;N,N-Di(2-Chloroethyl) Benzylamine HCl;N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine hydrochloride
CAS:10429-82-0
MF:C11H16Cl3N
MW:268.61
EINECS:
Product Categories:pharmacetical
Mol File:10429-82-0.mol
N-Benzyl-bis(2-chloroethyl)amine hydrochloride Structure
N-Benzyl-bis(2-chloroethyl)amine hydrochloride Chemical Properties
Melting point 134-136°
storage temp. Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
form Solid
color Off-White to Pale Beige
Stability:Hygroscopic
InChIInChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
InChIKeyAZRWNJFEUSHORT-UHFFFAOYSA-N
SMILESN(CCCl)(CCCl)CC1C=CC=CC=1.Cl
CAS DataBase Reference10429-82-0(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
RIDADR UN2923
HazardClass IRRITANT
HS Code 29214990
MSDS Information
N-Benzyl-bis(2-chloroethyl)amine hydrochloride Usage And Synthesis
Chemical PropertiesWhite crystalline powder
UsesN-Benzyl-bis(2-chloroethyl)amine Hydrochloride can be used to prepare RSV F protein inhibitors.
Synthesis
2,2'-(BENZYLIMINO)DIETHANOL

101-32-6

N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE

10429-82-0

General procedure for the synthesis of N-benzyl-bis(2-chloroethyl)amine hydrochloride from 2,2'-(benzylimino)diethanol: A solution of sulfur dichloride (35.8 mL, 482 mmol) in anhydrous dichloromethane (60 mL) was added slowly and dropwise to a dichloromethane (200 mL) solution of 2,2'-(benzylimino)diethanol (obtained in step a, 31.4 g, 160 mmol). mL) in a cold solution of methylene chloride (200 mL). The reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the solvent was removed to dryness by rotary evaporation to afford N-benzyl-bis(2-chloroethyl)amine hydrochloride (47.2 g, 100% yield), and the product was used directly in the next step without further purification.HPLC-MS (Method A): retention time, 2.34 min; ESI-MS m/z, 262 (M + 1).

References[1] Patent: WO2017/16669, 2017, A1. Location in patent: Page/Page column 201
[2] Patent: EP970046, 2003, B1. Location in patent: Page 46
[3] Patent: US6342508, 2002, B1. Location in patent: Page column 59
[4] European Journal of Medicinal Chemistry, 2014, vol. 75, p. 11 - 20
[5] Chemical Communications, 2002, # 23, p. 2840 - 2841
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