Benzamide, 4-nitro-N-2-pyridinyl-

Base Information

• Chemical Name: Benzamide, 4-nitro-N-2-pyridinyl-
• CAS No.: 7498-40-0
• Molecular Formula: C12H9N3O3
• Molecular Weight: 243.222
• NSC Number: 407491
• DSSTox Substance ID: DTXSID70225940
• Nikkaji Number: J2.022.425H
• Wikidata: Q83105150
• Mol file: 7498-40-0.mol

Synonyms:7498-40-0;Benzamide, 4-nitro-N-2-pyridinyl-;4-nitro-N-pyridin-2-ylbenzamide;4-nitro-N-(pyridin-2-yl)benzamide;4-Nitro-N-2-pyridinylbenzamide;BRN 0216881;MFCD00171028;4-22-00-03885 (Beilstein Handbook Reference);4-nitro-N-pyridine-2-yl-benzamide;NSC407491;Cambridge id 5186502;Oprea1_327101;Oprea1_689867;SCHEMBL8212003;4-Nitro-N-(2-pyridyl)benzamide;DTXSID70225940;4-nitro-N-(2-pyridinyl)benzamide;4-nitro-N-pyridine-2 yl-benzamide;STK391469;AKOS001303138;MS-6739;N-(2-Pyridyl)-4-nitrobenzimidic acid;NSC 407491;NSC-407491;LS-27301;SY325178;CS-0315614;(4-NITROPHENYL)-N-(2-PYRIDYL)FORMAMIDE;AB00075028-01;Z60744755

Chemical Property of Benzamide, 4-nitro-N-2-pyridinyl-

Chemical Property:

• Vapor Pressure: 2.14E-05mmHg at 25°C
• Boiling Point: 361°Cat760mmHg
• Flash Point: 172.1°C
• PSA: 87.81000
• Density: 1.402g/cm³
• LogP: 2.83830
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 243.06439116
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

4-Nitro-N-pyridin-2-ylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzamide, 4-nitro-N-2-pyridinyl-

There total 14 articles about Benzamide, 4-nitro-N-2-pyridinyl- 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: 90.0%

p-nitrobenzoyl chloride (86843-82-5) → 4-nitro-N-pyridine-2-yl-benzamide (7498-40-0)

Guidance literature:

With sodium carbonate; In ethanol; water; for 1h; Heating; Schotten-Baumann;

Reference yield: 74.0%

2-aminopyridine (504-29-0) + (4-nitrophenyl)ethanone (100-19-6) → 4-nitro-N-pyridine-2-yl-benzamide (7498-40-0)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; oxygen; copper dichloride; In tert-butyl alcohol; at 80 ℃; for 36h;

DOI:10.1021/ol5031266

Reference yield: 70.0%

2-aminopyridine (504-29-0) + 4-nitro-benzoic acid (62-23-7) → 4-nitro-N-pyridine-2-yl-benzamide (7498-40-0)

Guidance literature:

4-nitro-benzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

2-aminopyridine; With triethylamine; at 0 ℃;

upstream raw materials:

2-aminopyridine

4-nitro-benzoyl chloride

2-<(p-nitrobenzylidene)amino>pyridine

p-nitrobenzoyl chloride

Downstream raw materials:

(1-naphthyl)[N-(2-pyridyl)-4-nitrobenzamido](triphenylphosphine)nickel(II)

N-(pyridin-2-yl)-4-stearamidobenzamide

N-Methyl-4-nitro-N-pyridin-2-yl-benzamide

4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-N-(pyridin-2-yl)benzamide

Refernces

• 1、 Zhou, Haipin,Liu, Yanpeng,Xia, Haidong,Xu, Jinyi,Wang, Tingfang,Xu, Shengtao. "Direct Transformation of Alkylarenes into N-(Pyridine-2-yl)amides by C(sp3)–C(sp3) Bond Cleavage". . p. 6468 - 6473. Retrieved 2020/10/02.
• 2、 Liu, Yanpeng,Sun, Honghao,Huang, Zhangjian,Ma, Cong,Lin, Aijun,Yao, Hequan,Xu, Jinyi,Xu, Shengtao. "Metal-Free Synthesis of N-(Pyridine-2-yl)amides from Ketones via Selective Oxidative Cleavage of C(O)-C(Alkyl) Bond in Water". . p. 14307 - 14313. Retrieved 2019/01/03.