Ethylenediamine, 2-(chlorobenzyl)-

Base Information

• Chemical Name: Ethylenediamine, 2-(chlorobenzyl)-
• CAS No.: 6241-46-9
• Molecular Formula: C9H13ClN2
• Molecular Weight: 184.669
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID70211469
• Nikkaji Number: J49.898J
• Wikidata: Q83086396
• Mol file: 6241-46-9.mol

Synonyms:6241-46-9;N-(2-CHLOROBENZYL)ETHANE-1,2-DIAMINE;ETHYLENEDIAMINE, 2-(CHLOROBENZYL)-;2-Chlorobenzylethylenediamine;N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine;BRN 0639400;N1-(2-Chlorobenzyl)ethane-1,2-diamine;(2-aminoethyl)[(2-chlorophenyl)methyl]amine;4-12-00-02363 (Beilstein Handbook Reference);1,2-Ethanediamine, N-[(2-chlorophenyl)methyl]-;SCHEMBL4706607;DTXSID70211469;N-(2-Chlorobenzyl)ethylenediamine;WTGFJEQTHKHUID-UHFFFAOYSA-N;MFCD01726880;STL168671;Ethylenediamine, N-(o-chlorobenzyl)-;AKOS000264680;LS-03770;LS-68399;N1-(2-Chloro-benzyl)-ethane-1,2-diamine;FT-0683473

Chemical Property of Ethylenediamine, 2-(chlorobenzyl)-

Chemical Property:

• Vapor Pressure: 0.0018mmHg at 25°C
• Boiling Point: 292.7°Cat760mmHg
• Flash Point: 130.8°C
• PSA: 38.05000
• Density: 1.131g/cm³
• LogP: 2.47950
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.0767261
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-Chlorobenzyl)ethane-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CNCCN)Cl

Technology Process of Ethylenediamine, 2-(chlorobenzyl)-

There total 4 articles about Ethylenediamine, 2-(chlorobenzyl)- 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: 25.0%

2-chloro-benzaldehyde (89-98-5) + ethylenediamine (107-15-3,85404-18-8) → N1-(2-chlorobenzyl)ethane-1,2-diamine (6241-46-9)

Guidance literature:

2-chloro-benzaldehyde; ethylenediamine; In toluene; for 5h; Reflux; Dean-Stark;

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2012.06.045

Reference yield:

[2-(2-chloro-benzylamino)-ethyl]-carbamic acid tert-butyl ester (622373-33-5) + methoxybenzene (100-66-3) → N1-(2-chlorobenzyl)ethane-1,2-diamine (6241-46-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;

Reference yield:

1-chloro-2-(chloromethyl)benzene (611-19-8) + ethylenediamine (107-15-3,85404-18-8) → N1-(2-chlorobenzyl)ethane-1,2-diamine (6241-46-9)

Guidance literature:

In acetonitrile; at 0 - 5 ℃;

DOI:10.1021/acs.jafc.0c04786

upstream raw materials:

N,N'-(ethane-1,2-diyl)bis(1-(2-chlorophenyl)methanimine)

[2-(2-chloro-benzylamino)-ethyl]-carbamic acid tert-butyl ester

methoxybenzene

2-chloro-benzaldehyde

Downstream raw materials:

2,7-bis-[2-(2-chlorobenzylamino)ethyl]benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone

C₂₃H₂₆ClN₅O₃

1-(2-chlorobenzyl)-2-(nitromethylene)imidazolidine

Undec-10-enoic acid (2-chloro-benzyl)-(2-undec-10-enoylamino-ethyl)-amide