Phenethylamine, N,N-bis(2-chloroethyl)-

Base Information

• Chemical Name: Phenethylamine, N,N-bis(2-chloroethyl)-
• CAS No.: 1138-79-0
• Molecular Formula: C12H17 Cl2 N
• Molecular Weight: 246.18
• NSC Number: 108713
• DSSTox Substance ID: DTXSID60150555
• Nikkaji Number: J71.119E
• Wikidata: Q83016680
• Mol file: 1138-79-0.mol

Synonyms:1138-79-0;N,N-Bis(2-chloroethyl)benzeneethanamine;N,N-Bis(2-chloroethyl)phenethylamine;N-Phenethyl-N,N-di-2-chloroethylamine;Phenethylamine, N,N-bis(2-chloroethyl)-;NSC 108713;BRN 2724152;Benzeneethanamine, N,N-bis(2-chloroethyl)-;Triethylamine, 2,2'-dichloro-2''-phenyl-;NSC108713;WLN: G2N2G2R;4-12-00-02455 (Beilstein Handbook Reference);SCHEMBL4269278;DTXSID60150555;Phenethylamine,N-bis(2-chloroethyl)-;NSC-108713;Triethylamine,2'-dichloro-2''-phenyl-;Benzeneethanamine,N-bis(2-chloroethyl)-

Chemical Property of Phenethylamine, N,N-bis(2-chloroethyl)-

Chemical Property:

• Vapor Pressure: 0.00424mmHg at 25°C
• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 122.2°C
• Density: 1.127g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 245.0738049
• Heavy Atom Count: 15
• Complexity: 141

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCN(CCCl)CCCl

Technology Process of Phenethylamine, N,N-bis(2-chloroethyl)-

There total 1 articles about Phenethylamine, N,N-bis(2-chloroethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

2-[(2-Hydroxy-ethyl)-(2-phenyl-ethyl)-amino]-ethanol (4142-04-5) → bis-(2-chloro-ethyl)-(2-phenyl-ethyl)-amine (1138-79-0)

Guidance literature:

Reference yield: 93.5%

piperidine (110-89-4) + bis-(2-chloro-ethyl)-(2-phenyl-ethyl)-amine (1138-79-0) → 3-(β-phenylethyl)-3,6-diazaspiro[5.5]undecane chloride

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 80 ℃; for 6h; Heating / reflux;

Reference yield: 63.0%

2-(4-methoxybenzenesulfonyl)acetic acid ethyl ester (2850-21-7) + bis-(2-chloro-ethyl)-(2-phenyl-ethyl)-amine (1138-79-0) → 4-(4-methoxy-benzenesulfonyl)-1-(2-phenyl-ethyl)-piperidine-4-carboxylic acid ethyl ester (212771-06-7)

Guidance literature:

upstream raw materials:

2-[(2-Hydroxy-ethyl)-(2-phenyl-ethyl)-amino]-ethanol

Downstream raw materials:

4-(4-methoxy-benzenesulfonyl)-1-(2-phenyl-ethyl)-piperidine-4-carboxylic acid ethyl ester

Refernces

• 1、 -. "N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS". Page 53-54. . Retrieved 2010/02/03.