Benzenecarboximidoyl chloride, N-(phenylmethyl)-

Base Information

• Chemical Name: Benzenecarboximidoyl chloride, N-(phenylmethyl)-
• CAS No.: 46721-83-9
• Molecular Formula: C14H12ClN
• Molecular Weight: 229.709
• DSSTox Substance ID: DTXSID00396859
• Nikkaji Number: J450.205A
• Mol file: 46721-83-9.mol

Synonyms:n-benzylbenzimidoyl chloride;N-Benzyl-benzimidoyl chloride;Benzenecarboximidoyl chloride, N-(phenylmethyl)-;PhCCl=NCH2Ph;46721-83-9;SCHEMBL7466196;(Z)-N-benzylbenzimidoyl chloride;DTXSID00396859;UIUSXFZPHSUSGX-UHFFFAOYSA-N

Chemical Property of Benzenecarboximidoyl chloride, N-(phenylmethyl)-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 229.0658271
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN=C(C2=CC=CC=C2)Cl

Technology Process of Benzenecarboximidoyl chloride, N-(phenylmethyl)-

There total 9 articles about Benzenecarboximidoyl chloride, N-(phenylmethyl)- 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: 63.0%

N-benzylbenzamide (1485-70-7) → N-(chloro(phenyl)methylene)(phenyl)methanamine (46721-83-9)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at 70 ℃; Schlenk technique;

DOI:10.1039/c4dt00372a

Reference yield:

benzyl azide (622-79-7) + 3-chloro-3-phenyl-3H-diazirine (4460-46-2) → N-benzylbenzamide (1485-70-7) + N-(chloro(phenyl)methylene)(phenyl)methanamine (46721-83-9)

Guidance literature:

In pentane; at 25 ℃; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Irradiation;

DOI:10.1016/0040-4039(95)00018-8

Reference yield:

benzylamine (100-46-9) → N-(chloro(phenyl)methylene)(phenyl)methanamine (46721-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethyl acetate / 20 °C

2: phosphorus pentachloride / toluene / 4 h / Reflux

With phosphorus pentachloride; triethylamine; In ethyl acetate; toluene;

DOI:10.1021/jm201463v

upstream raw materials:

N-benzylbenzamide

benzyl azide

3-chloro-3-phenyl-3H-diazirine

benzoyl chloride

Downstream raw materials:

N-Benzylaniline

benzonitrile

benzyl chloride

N-benzylbenzamide dimethylhydrazone