4-Nitronicotinic acid N-oxide

Base Information

• Chemical Name: 4-Nitronicotinic acid N-oxide
• CAS No.: 1078-05-3
• Molecular Formula: C6H4N2O5
• Molecular Weight: 184.108
• Hs Code.: 2933399990
• Mol file: 1078-05-3.mol

Synonyms:Nicotinicacid, 4-nitro-, 1-oxide (6CI,7CI,8CI);4-Nitro-3-pyridinecarboxylic acid1-oxide;4-Nitronicotinic acid 1-oxide;4-Nitropyridine-3-carboxylic acidN-oxide;NSC 51401;

Chemical Property of 4-Nitronicotinic acid N-oxide

Chemical Property:

• Vapor Pressure: 4.33E-13mmHg at 25°C
• Melting Point: 170-172°C
• Refractive Index: 1.653
• Boiling Point: 553.6 °C at 760 mmHg
• PKA: 1.37±0.25(Predicted)
• Flash Point: 288.6 °C
• PSA: 108.58000
• Density: 1.69g/cm³
• LogP: 1.24470

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-NitronicotinicacidN-oxide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system a
• Hazard Codes: R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system a
• Statements: 23/24/25-36/37/38
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Nitronicotinic acid N-oxide

There total 3 articles about 4-Nitronicotinic acid N-oxide 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: 68.0%

3-methyl-4-nitropyridine N-oxide (1074-98-2) → 4-nitro-3-carboxypyridine 1-oxide (1078-05-3)

Guidance literature:

With sodium dichromate; sulphurous acid; at 55 ℃; for 3h;

DOI:10.1080/00397919608004536

Reference yield:

3-picoline-N-oxide (1003-73-2) → 4-nitro-3-carboxypyridine 1-oxide (1078-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 46 percent / conc. HNO₃; conc. H₂SO₄ / 2.5 h / 100 - 105 °C

2: 26 percent / conc. H₂SO₄; Na₂Cr₂O₇*2H₂O / 2.5 h / 30 - 40 °C

With sodium dichromate; sulfuric acid; nitric acid;

DOI:10.1016/S0968-0896(01)00115-8

Reference yield:

→ 4-nitro-3-carboxypyridine 1-oxide (1078-05-3)

Guidance literature:

4-Nitro-3-picolin-1-oxid, Na2Cr2O7*H2O, cc. H2SO4;

upstream raw materials:

3-methyl-4-nitropyridine N-oxide

3-picoline-N-oxide

Downstream raw materials:

4-(phenylthio)nicotinic acid 1-oxide

4-(4-chlorophenylthio)nicotinic acid 1-oxide

4-amino-3-hydroxymethylpyridine

4-hydroxy-3-hydroxymethylpyridine

Refernces

• 1、 Zhou, Zhang-Lin,Navratil, James M.,Cai, Sui Xiong,Whittemore, Edward R.,Espitia, Stephen A.,Hawkinson, Jon E.,Tran, Minhtam,Woodward, Richard M.,Weber, Eckard,Keana, John F.W.. "Synthesis and SAR of 5-, 6-, 7- and 8-aza analogues of 3-aryl-4-hydroxyquinolin-2(1H)-one as NMDA/glycine site antagonists". . p. 2061 - 2071. Retrieved 2007/10/03.
• 2、 Leroy,Despres,Bigan,Blondeau. "Syntheses of ortho-hydroxymethylpyridinols and dioxaphosphorino[m,n-x]pyridines". . p. 2257 - 2272. Retrieved 2007/10/03.