n-(2-Chloropyridin-3-yl)-2-nitrobenzamide

Base Information

• Chemical Name: n-(2-Chloropyridin-3-yl)-2-nitrobenzamide
• CAS No.: 1028-86-0
• Molecular Formula: C12H8ClN3O3
• Molecular Weight: 277.667
• Hs Code.: 2933399090
• European Community (EC) Number: 213-843-6
• DSSTox Substance ID: DTXSID70145518
• Nikkaji Number: J217.153H
• Mol file: 1028-86-0.mol

Synonyms:n-(2-chloropyridin-3-yl)-2-nitrobenzamide;1028-86-0;C12H8ClN3O3;N-(2-Chloro-3-pyridyl)-o-nitrobenzamide;2-CHLORO-3-(2-NITROBENZAMIDO)PYRIDINE;EINECS 213-843-6;N-(2-Chloro-pyridin-3-yl)-2-nitro-benzamide;SCHEMBL986256;DTXSID70145518;MFCD03389530;AKOS003797342;AB14013;DS-1832;CS-0151396;2-nitro-N-(2-chloro-pyridin-3-yl)-benzamide

Chemical Property of n-(2-Chloropyridin-3-yl)-2-nitrobenzamide

Chemical Property:

• Vapor Pressure: 6.62E-06mmHg at 25°C
• Melting Point: 158.0-161.5 °C
• Refractive Index: 1.684
• Boiling Point: 377.7 °C at 760 mmHg
• PKA: 10.58±0.70(Predicted)
• Flash Point: 182.2 °C
• PSA: 87.81000
• Density: 1.498 g/cm³
• LogP: 3.49170
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 277.0254188
• Heavy Atom Count: 19
• Complexity: 348

Purity/Quality:

97% ^*data from raw suppliers

N-(2-CHLOROPYRIDIN-3-YL)-2-NITROBENZAMIDE ^*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=C(N=CC=C2)Cl)[N+](=O)[O-]

Technology Process of n-(2-Chloropyridin-3-yl)-2-nitrobenzamide

There total 4 articles about n-(2-Chloropyridin-3-yl)-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: 100.0%

2-chloro-3-aminopyridine (6298-19-7) + 2-nitrobenzyl chloride (610-14-0) → N-(2-chloro-pyridin-3-yl)-2-nitro-benzamide (1028-86-0)

Guidance literature:

With pyridine; at 0 - 20 ℃;

Reference yield: 96.0%

→ N-(2-chloro-pyridin-3-yl)-2-nitro-benzamide (1028-86-0)

Guidance literature:

Reference yield:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → N-(2-chloro-pyridin-3-yl)-2-nitro-benzamide (1028-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride; DMF / tetrahydrofuran / 1 h / Heating

2: 5.55 g / pyridine / tetrahydrofuran / 2 h / 20 °C

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran;

DOI:10.1021/jm040800a

upstream raw materials:

2-chloro-3-aminopyridine

2-nitrobenzyl chloride

ortho-nitrobenzoic acid

Downstream raw materials:

2-(2-nitrophenyl)thiazolo[5,4-b]pyridine

5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one

11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

2-amino-N-(2-chloro-pyridin-3-yl)-N-methyl-benzamide