N-(2-methylphenyl)-2-nitrobenzamide

Base Information

• Chemical Name: N-(2-methylphenyl)-2-nitrobenzamide
• CAS No.: 2385-25-3
• Molecular Formula: C₁₄H₁₂N₂O₃
• Molecular Weight: 256.261
• DSSTox Substance ID: DTXSID801293464
• Mol file: 2385-25-3.mol

Synonyms:N-(2-methylphenyl)-2-nitrobenzamide;2-nitro-N-(2-tolyl)benzamide;2385-25-3;Oprea1_721142;SCHEMBL1963164;DTXSID801293464;2-nitro-N-(2-methylphenyl)benzamide;AKOS002935929;AE-641/00616059;SR-01000200755;SR-01000200755-1

Chemical Property of N-(2-methylphenyl)-2-nitrobenzamide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.08479225
• Heavy Atom Count: 19
• Complexity: 340

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Technology Process of N-(2-methylphenyl)-2-nitrobenzamide

There total 3 articles about N-(2-methylphenyl)-2-nitrobenzamide 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: 68.0%

o-toluidine (95-53-4) + 2-nitrobenzyl chloride (610-14-0) → 2-nitro-N-(2-tolyl)benzamide (2385-25-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm701191z

Reference yield:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 2-nitro-N-(2-tolyl)benzamide (2385-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C

2: triethylamine / dichloromethane

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1039/c6ra00855k

Reference yield:

→ 2-nitro-N-(2-tolyl)benzamide (2385-25-3)

Guidance literature:

2-<4>Pyridyl-3-o-tolyl-3H-chinazolin-4-on, wss.H2O2, CF3COOH, Δ;

upstream raw materials:

o-toluidine

2-nitrobenzyl chloride

ortho-nitrobenzoic acid

Downstream raw materials:

2-nitro-benzoic acid-(N-methyl-o-toluidide)

2-amino-N-(2-methylphenyl)benzamide

2-(2-methylphenyl)-1,2-dihydro-3H-indazol-3-one

3-(2-methylphenyl)-2-phenylquinazolin-4(3H)-one