N-(3-Nitrophenyl)benzamide

Base Information

• Chemical Name: N-(3-Nitrophenyl)benzamide
• CAS No.: 4771-08-8
• Molecular Formula: C13H10 N2 O3
• Molecular Weight: 242.234
• European Community (EC) Number: 225-312-6
• UNII: 9MH4T388YQ
• DSSTox Substance ID: DTXSID5052121
• Nikkaji Number: J62.900F
• Wikidata: Q81984932
• ChEMBL ID: CHEMBL1555432
• Mol file: 4771-08-8.mol

Synonyms:N-(3-Nitrophenyl)benzamide;3'-Nitrobenzanilide;N-(m-Nitrophenyl)benzamide;4771-08-8;Benzamide, N-(3-nitrophenyl)-;m'-Nitrobenzanilide;Benzanilide, 3'-nitro-;BRN 1979953;EINECS 225-312-6;AI3-30846;N-(3-Nitro-phenyl)-benzamide;Maybridge1_008794;N-Benzoyl-3-nitroaniline;Oprea1_829150;MLS000711668;1-benzoylamino-3-nitrobenzene;N-(3-Nitrophenyl)benzamide #;9MH4T388YQ;SCHEMBL6795867;CHEMBL1555432;DTXSID5052121;HMS566H16;HMS2774L05;MFCD00043537;N-(3-Nitrophenyl)benzoic acid amide;STK072782;AKOS000373688;CCG-255858;NCGC00245491-01;AS-11353;LS-27293;N,N-Dimethyl-(morpholin-2-yl)methanamine;SMR000281435;CS-0207310;FT-0616235;FT-0629297;4-12-00-01597 (Beilstein Handbook Reference);A914762;SR-01000414615;SR-01000414615-1

Chemical Property of N-(3-Nitrophenyl)benzamide

Chemical Property:

• Vapor Pressure: 0.000624mmHg at 25°C
• Boiling Point: 309.8°C at 760 mmHg
• Flash Point: 141.2°C
• PSA: 74.92000
• Density: 1.344g/cm³
• LogP: 3.44330
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.06914219
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

N-(3-Nitrophenyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of N-(3-Nitrophenyl)benzamide

There total 32 articles about N-(3-Nitrophenyl)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: 98.0%

benzoyl chloride (98-88-4) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl)benzamide (4771-08-8)

Guidance literature:

With triethylamine; In 1-methyl-pyrrolidin-2-one; for 0.5h; Inert atmosphere; Cooling with ice;

DOI:10.1039/d0gc03470c

Reference yield: 90.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl)benzamide (4771-08-8)

Guidance literature:

With zinc; In N,N-dimethyl-formamide; for 0.0333333h; microwave irradiation;

DOI:10.1139/v05-134

Reference yield: 89.0%

iodobenzene (591-50-4) + carbon monoxide (201230-82-2) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl)benzamide (4771-08-8)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 100 ℃; for 8h; under 750.075 Torr; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.molcata.2014.11.008

upstream raw materials:

N-phenyl benzoyl amide

benzoyl chloride

3-nitro-aniline

N-benzoylbenzamide

Downstream raw materials:

N-(3-nitro-phenyl)-benzimidoyl chloride

thiobenzoic acid-(3-nitro-anilide)

N-Benzoyl-m-phenylendiamin

N-(3-nitro-phenyl)-N'-phenyl-benzamidine

Refernces

• 1、 Fu, Zhengqiang,Wang, Xinghua,Tao, Sheng,Bu, Qingqing,Wei, Donghui,Liu, Ning. "Manganese Catalyzed Direct Amidation of Esters with Amines". . p. 2339 - 2358. Retrieved 2021/02/03.
• 2、 Brittain, William D. G.,Cobb, Steven L.. "Carboxylic Acid Deoxyfluorination and One-Pot Amide Bond Formation Using Pentafluoropyridine (PFP)". supporting information. p. 5793 - 5798. Retrieved 2021/08/01.