| Identification | More | [Name]
N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE | [CAS]
10429-82-0 | [Synonyms]
BUTTPARK 146\50-40
N-BENZYL-2-CHLORO-N-(2-CHLOROETHYL)-1-ETHANAMINIUM CHLORIDE
N-BENZYL-BIS(2-CHLOROETHYL)AMINE HCL
N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE
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
benzyl-bis(2-chloroethyl)aminehydrochloride
embitol
n,n-bis(2-chloroethyl)benzenemethanaminehydrochloride
n,n-bis(2-chloroethyl)-benzylaminhydrochloride
N,N-Di(2-Chloroethyl) Benzylamine HCl
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine hydrochloride | [Molecular Formula]
C11H16Cl3N | [MDL Number]
MFCD00185654 | [Molecular Weight]
268.61 | [MOL File]
10429-82-0.mol |
| Chemical Properties | Back Directory | [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) |
| Hazard Information | Back Directory | [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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