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

InChI

InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H

InChIKey

AZRWNJFEUSHORT-UHFFFAOYSA-N

SMILES

N(CCCl)(CCCl)CC1C=CC=CC=1.Cl

CAS DataBase Reference

10429-82-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

RIDADR 

UN2923

HazardClass 

IRRITANT

HS Code 

29214990

N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE Usage And Synthesis

Chemical Properties

White crystalline powder

Uses

N-Benzyl-bis(2-chloroethyl)amine Hydrochloride can be used to prepare RSV F protein inhibitors.

Synthesis

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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