4-Benzoyl-3-nitropyridine

Base Information

• Chemical Name: 4-Benzoyl-3-nitropyridine
• CAS No.: 164219-72-1
• Molecular Formula: C12H8N2O3
• Molecular Weight: 228.2
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80434546
• Mol file: 164219-72-1.mol

Synonyms:4-BENZOYL-3-NITROPYRIDINE;164219-72-1;(3-nitropyridin-4-yl)-phenylmethanone;DTXSID80434546;(3-nitro-4-pyridinyl)-phenylmethanone;(3-nitro-4-pyridyl)-phenyl-methanone;AKOS015912146;A810544

Chemical Property of 4-Benzoyl-3-nitropyridine

Chemical Property:

• Boiling Point: 426.033 °C at 760 mmHg
• PKA: -0.94±0.18(Predicted)
• Flash Point: 211.457 °C
• PSA: 75.78000
• Density: 1.322 g/cm³
• LogP: 2.74400
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.05349212
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

4-BENZOYL-3-NITROPYRIDINE 95.00% ^*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)C2=C(C=NC=C2)[N+](=O)[O-]

Technology Process of 4-Benzoyl-3-nitropyridine

There total 1 articles about 4-Benzoyl-3-nitropyridine 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: 74.0%

4-Benzoylpyridine (14548-46-0) → 4-benzoyl-3-nitropyridine (164219-72-1)

Guidance literature:

4-Benzoylpyridine; With dinitrogen pentoxide; In liquid sulphur dioxide; at -38 ℃; for 0.0833333h;

With water; In liquid sulphur dioxide; at 20 ℃; for 16h;

DOI:10.1002/jhet.5570380114

Reference yield: 83.0%

4-benzoyl-3-nitropyridine (164219-72-1) → (3-aminopyridin-4-yl)(phenyl)methanone (3810-11-5)

Guidance literature:

With sodium thiosulfate; In ethanol; for 6h; Heating;

DOI:10.1002/jhet.5570380114

Reference yield:

4-benzoyl-3-nitropyridine (164219-72-1) → 3-amino-4-benzoyl-2-chloropyridine (342899-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / sodium hyposulfite / aq. ethanol / 6 h / Heating

2: 47 percent / conc. aq. HCl; 35 percent aq. H₂O₂ / 0.5 h / 20 °C

With hydrogenchloride; dihydrogen peroxide; sodium thiosulfate; In ethanol;

DOI:10.1002/jhet.5570380114

upstream raw materials:

4-Benzoylpyridine

Downstream raw materials:

(3-aminopyridin-4-yl)(phenyl)methanone

3-amino-4-benzoyl-2-chloropyridine

Refernces