N1-(3-Chlorobenzyl)-N1-methylethane-1,2-diamine

Base Information

• Chemical Name: N1-(3-Chlorobenzyl)-N1-methylethane-1,2-diamine
• CAS No.: 103264-69-3
• Molecular Formula: C₁₀H₁₅ClN₂
• Molecular Weight: 198.695
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID30655941
• Wikidata: Q72457183
• Mol file: 103264-69-3.mol

Synonyms:103264-69-3;N1-(3-CHLOROBENZYL)-N1-METHYLETHANE-1,2-DIAMINE;N'-[(3-chlorophenyl)methyl]-N'-methylethane-1,2-diamine;N*1*-(3-Chloro-benzyl)-N*1*-methyl-ethane-1,2-diamine;N-(3-Chlorobenzyl)-N-methyl-1,2-ethanediamine;(2-AMINOETHYL)[(3-CHLOROPHENYL)METHYL]METHYLAMINE;SCHEMBL21902241;DTXSID30655941;AM90473;MB05582;FT-0693631;Z415691304;N~1~-[(3-Chlorophenyl)methyl]-N~1~-methylethane-1,2-diamine

Chemical Property of N1-(3-Chlorobenzyl)-N1-methylethane-1,2-diamine

Chemical Property:

• Boiling Point: 259℃
• Flash Point: 110℃
• PSA: 29.26000
• Density: 1.115
• LogP: 2.43080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0923762
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

N1-(3-Chlorobenzyl)-N1-methylethane-1,2-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCN)CC1=CC(=CC=C1)Cl

Technology Process of N1-(3-Chlorobenzyl)-N1-methylethane-1,2-diamine

There total 2 articles about N1-(3-Chlorobenzyl)-N1-methylethane-1,2-diamine 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:

N-(3-chloro-benzyl)-N-methyl-glycine nitrile (112534-56-2) → N-(3-chloro-benzyl)-N-methyl-ethylenediamine (103264-69-3)

Guidance literature:

With tetrahydrofuran; lithium aluminium tetrahydride;

DOI:10.1021/ja01519a057

Reference yield:

3-chloro-N-methylbenzylamine (39191-07-6) → N-(3-chloro-benzyl)-N-methyl-ethylenediamine (103264-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; toluene

2: LiAlH₄; THF

With tetrahydrofuran; lithium aluminium tetrahydride; triethylamine; toluene;

DOI:10.1021/ja01519a057

Reference yield:

3-chloro-1-methylpiperidine (22704-36-5,1353993-68-6,1354009-45-2) + N-(3-chloro-benzyl)-N-methyl-ethylenediamine (103264-69-3) → N-(3-chloro-benzyl)-N-methyl-N'-(1-methyl-pyrrolidin-2-ylmethyl)-ethylenediamine

Guidance literature:

With Methyl isobutyl carbinol;

DOI:10.1021/ja01519a057

upstream raw materials:

N-(3-chloro-benzyl)-N-methyl-glycine nitrile

3-chloro-N-methylbenzylamine

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