N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide

Base Information

• Chemical Name: N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide
• CAS No.: 93839-21-5
• Molecular Formula: C14H11 N3 O4
• Molecular Weight: 285.259
• European Community (EC) Number: 298-791-2
• DSSTox Substance ID: DTXSID80239730
• Nikkaji Number: J317.603G
• Wikidata: Q83122160
• Mol file: 93839-21-5.mol

Synonyms:N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide;93839-21-5;4-[(4-nitrobenzoyl)amino]benzamide;N-(4-carbamoylphenyl)-4-nitrobenzamide;N-(4-(Aminocarbonyl)phenyl)-4-nitrobenzamide;EINECS 298-791-2;EC 298-791-2;Oprea1_331145;Oprea1_357864;DTXSID80239730;STK180690;AKOS000604200;EU-0083954;AB00079853-01;AG-670/36149013;SR-01000507443;SR-01000507443-1;Z30242041

Chemical Property of N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide

Chemical Property:

• Vapor Pressure: 3.05E-08mmHg at 25°C
• Boiling Point: 448.6°Cat760mmHg
• PKA: 11.65±0.70(Predicted)
• Flash Point: 225.1°C
• PSA: 121.50000
• Density: 1.434g/cm³
• LogP: 3.55350
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.07495584
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide

There total 1 articles about N-[4-(aminocarbonyl)phenyl]-4-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: 80.5%

4-aminobenzamide (2835-68-9) + 4-nitro-benzoyl chloride (122-04-3) → N-(4-carbamoylphenyl)-4-nitrobenzamide (93839-21-5)

Guidance literature:

With pyridine; In toluene; at 60 - 100 ℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere; Autoclave;

DOI:10.1007/s11164-012-0753-0

Reference yield: 96.2%

N-(4-carbamoylphenyl)-4-nitrobenzamide (93839-21-5) → 4-amino-N-(4-carbamoylphenyl)benzamide (74441-06-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In N,N-dimethyl acetamide; at 50 - 65 ℃; for 1h; under 11251.1 Torr; Temperature; Time; Concentration; Autoclave;

DOI:10.1007/s11164-012-0753-0

upstream raw materials:

4-aminobenzamide

4-nitro-benzoyl chloride

Downstream raw materials:

4-amino-N-(4-carbamoylphenyl)benzamide

Refernces