N-(2,3-dimethylphenyl)benzamide

Base Information

• Chemical Name: N-(2,3-dimethylphenyl)benzamide
• CAS No.: 3096-94-4
• Molecular Formula: C15H15 N O
• Molecular Weight: 225.29
• NSC Number: 164392
• DSSTox Substance ID: DTXSID60304157
• Wikidata: Q82049885
• Mol file: 3096-94-4.mol

Synonyms:N-(2,3-dimethylphenyl)benzamide;3096-94-4;NSC164392;SCHEMBL11769542;DTXSID60304157;AKOS002984593;NSC-164392;AN-652/41130134

Chemical Property of N-(2,3-dimethylphenyl)benzamide

Chemical Property:

• Vapor Pressure: 0.00342mmHg at 25°C
• Boiling Point: 282.1°C at 760 mmHg
• Flash Point: 167.4°C
• PSA: 29.10000
• Density: 1.121g/cm³
• LogP: 3.62870
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

99%min ^*data from raw suppliers

2',3'-BENZOXYLIDIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2)C

Technology Process of N-(2,3-dimethylphenyl)benzamide

There total 3 articles about N-(2,3-dimethylphenyl)benzamide 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: 60.0%

1-(2,3-dimethylphenyl)-1H-1,2,3,4-tetrazole (357163-95-2) + benzaldehyde (100-52-7) → N-(2,3-dimethylphenyl)benzamide (3096-94-4)

Guidance literature:

With tert.-butylhydroperoxide; In water; N,N-dimethyl-formamide; at 130 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1039/c4ra07658c

Reference yield: 58.0%

benzaldehyde (100-52-7) + 2,3-Dimethylaniline (87-59-2) → N-(2,3-dimethylphenyl)benzamide (3096-94-4)

Guidance literature:

With Bromotrichloromethane; In acetonitrile; at 20 ℃; for 18h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.8b02537

Reference yield:

benzoyl chloride (98-88-4) + 2,3-Dimethylaniline (87-59-2) → N-(2,3-dimethylphenyl)benzamide (3096-94-4)

Guidance literature:

With pyridine;

upstream raw materials:

benzoyl chloride

2,3-Dimethylaniline

1-(2,3-dimethylphenyl)-1H-1,2,3,4-tetrazole

benzaldehyde

Downstream raw materials:

4-methyl-2-phenyl-1H-indole

4-(benzoylamino)-2,3-dimethylbenzaldehyde

5-methyl-2-phenyl-4H-benzo[d][1,3]oxazine

Refernces

• 1、 Du, Juan,Luo, Kai,Zhang, Xiuli. "Synthesis of amides through an oxidative amidation of tetrazoles with aldehydes under transition-metal-free conditions". . p. 54539 - 54546. Retrieved 2015/01/09.