n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine

Base Information

• Chemical Name: n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine
• CAS No.: 108896-78-2
• Molecular Formula: C16H18Cl2N2
• Molecular Weight: 309.238
• UNII: FBE37K4O5V
• DSSTox Substance ID: DTXSID501225088
• Nikkaji Number: J238.837E
• Wikidata: Q27277906
• Mol file: 108896-78-2.mol

Synonyms:n,n'-bis(2-chlorobenzyl)ethane-1,2-diamine;108896-78-2;Ticlopidine Impurity J;UNII-FBE37K4O5V;N,N'-bis[(2-chlorophenyl)methyl]ethane-1,2-diamine;FBE37K4O5V;N,N'-Bis(o-chlorobenzyl)ethylenediamine;Ticlopidine hydrochloride impurity J [EP];1,2-Ethanediamine, N1,N2-bis((2-chlorophenyl)methyl)-;DTXSID501225088;N,N'-Bis(o-chlorobenzyl)-1,2-ethanediamine;N1,N2-Bis[(2-chlorophenyl)methyl]-1,2-ethanediamine;Q27277906;TICLOPIDINE HYDROCHLORIDE IMPURITY J [EP IMPURITY]

Chemical Property of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine

Chemical Property:

• PSA: 24.06000
• LogP: 4.65460
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 308.0847040
• Heavy Atom Count: 20
• Complexity: 237

Purity/Quality:

> 95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2Cl)Cl

Technology Process of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine

There total 3 articles about n,n'-Bis(2-chlorobenzyl)ethane-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: 100.0%

N,N'-(ethane-1,2-diyl)bis(1-(2-chlorophenyl)methanimine) (81512-53-0,348630-60-4) → N1,N2-bis(2-chlorobenzyl)ethane-1,2-diamine (108896-78-2)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1002/jccs.200800096

Reference yield:

2-chloro-benzaldehyde (89-98-5) → N1,N2-bis(2-chlorobenzyl)ethane-1,2-diamine (108896-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 4 h

2: NaBH₄ / methanol / 1 h / Heating

With sodium tetrahydroborate; In methanol; ethanol;

DOI:10.1002/jccs.200500077

Reference yield:

2-chloro-benzaldehyde (89-98-5) → N1,N2-bis(2-chlorobenzyl)ethane-1,2-diamine (108896-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / benzene / Heating

2: NaBH₄; 2 N NaOH / methanol; CH₂Cl₂; H₂O / 7 h / 0 - 18 °C

With sodium hydroxide; sodium tetrahydroborate; In methanol; dichloromethane; water; benzene;

upstream raw materials:

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

2-chloro-benzaldehyde

Downstream raw materials:

[Cu(acetylacetonato)(1,6-bis(2-chlorophenyl)-2,5-diazahexane)]ClO₄