Benzenecarboximidoyl chloride, N-(2,6-dimethylphenyl)-

Base Information

• Chemical Name: Benzenecarboximidoyl chloride, N-(2,6-dimethylphenyl)-
• CAS No.: 59387-01-8
• Molecular Formula: C15H14ClN
• Molecular Weight: 243.736
• DSSTox Substance ID: DTXSID50449743
• Nikkaji Number: J450.166G

Synonyms:59387-01-8;Benzenecarboximidoyl chloride, N-(2,6-dimethylphenyl)-;SCHEMBL4798750;SCHEMBL8603674;SCHEMBL13985064;DTXSID50449743;N-(2,6-dimethylphenyl)benzimidoyl chloride;N-(alpha-Chlorobenzylidene)-2,6-dimethylaniline

Chemical Property of Benzenecarboximidoyl chloride, N-(2,6-dimethylphenyl)-

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 243.0814771
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N=C(C2=CC=CC=C2)Cl

Technology Process of Benzenecarboximidoyl chloride, N-(2,6-dimethylphenyl)-

There total 4 articles about Benzenecarboximidoyl chloride, N-(2,6-dimethylphenyl)- 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: 89.0%

N-(2,6-diimethylphenyl)benzamide (18109-39-2) → N-(2,6-dimethylphenyl)benzenecarboximidoyl chloride (59387-01-8)

Guidance literature:

With thionyl chloride; for 3h; Reflux;

DOI:10.1021/ol802591j

Reference yield:

benzoyl chloride (98-88-4) → N-(2,6-dimethylphenyl)benzenecarboximidoyl chloride (59387-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 48 h / Reflux

2: thionyl chloride / 3 h / Reflux

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1039/c1nj20343f

Reference yield:

2,6-dimethylaniline (87-62-7) → N-(2,6-dimethylphenyl)benzenecarboximidoyl chloride (59387-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 48 h / Reflux

2: thionyl chloride / 3 h / Reflux

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1039/c1nj20343f

upstream raw materials:

N-(2,6-diimethylphenyl)benzamide

benzoyl chloride

2,6-dimethylaniline

Downstream raw materials:

1-(3-methoxyphenyl)-2-phenyl-2-(2,6-xylylimino)ethanone

N-(2,6-Dimethyl-4-nitro-phenyl)-benzamide

α-(2,6-xylylimino)benzylidene(triphenyl)stannane

CH₃C(C₆H₅)N((CH₃)2C₆H₃)C₃H₃N₂⁽¹⁺⁾*Cl^(1-)=CH₃C(C₆H₅)N((CH₃)2C₆H₃)C₃H₃N₂Cl

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