N'-[(4-Chlorophenyl)methyl]-N,N-dimethylmethanimidamide

Base Information

• Chemical Name: N'-[(4-Chlorophenyl)methyl]-N,N-dimethylmethanimidamide
• CAS No.: 27159-76-8
• Molecular Formula: C10H13ClN2
• Molecular Weight: 196.68
• DSSTox Substance ID: DTXSID20526217
• Nikkaji Number: J1.448.032C,J3.223.288D
• Mol file: 27159-76-8.mol

Synonyms:N'-[(4-Chlorophenyl)methyl]-N,N-dimethylmethanimidamide;27159-76-8;DTXSID20526217

Chemical Property of N'-[(4-Chlorophenyl)methyl]-N,N-dimethylmethanimidamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 196.0767261
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=NCC1=CC=C(C=C1)Cl

Technology Process of N'-[(4-Chlorophenyl)methyl]-N,N-dimethylmethanimidamide

There total 2 articles about N'-[(4-Chlorophenyl)methyl]-N,N-dimethylmethanimidamide 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: 87.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 4-chlorobenzylamine (104-86-9) → N2-p-chlorobenzyl-N1,N1-dimethylformamidine (27159-76-8)

Guidance literature:

In neat (no solvent); at 80 ℃; Microwave irradiation;

DOI:10.1016/j.tet.2020.131205

Reference yield:

→ N2-p-chlorobenzyl-N1,N1-dimethylformamidine (27159-76-8)

Guidance literature:

p-Chlor-benzylamin, SOCl2, Dimethylformamid;

Reference yield: 67.0%

Ethyl isocyanoacetate (2999-46-4) + N2-p-chlorobenzyl-N1,N1-dimethylformamidine (27159-76-8) → C13H13ClN2O2

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In neat (no solvent); at 110 ℃; for 14h;

DOI:10.1016/j.tet.2020.131205

upstream raw materials:

N,N-dimethyl-formamide dimethyl acetal

4-chlorobenzylamine