4-Nitropyridine-2-carboxylic acid 1-oxide

Base Information

• Chemical Name: 4-Nitropyridine-2-carboxylic acid 1-oxide
• CAS No.: 14933-78-9
• Molecular Formula: C6H4N2O5
• Molecular Weight: 184.108
• Hs Code.: 2933399090
• European Community (EC) Number: 239-008-6
• NSC Number: 63059
• DSSTox Substance ID: DTXSID10164223
• Wikidata: Q72496059
• Mol file: 14933-78-9.mol

Synonyms:14933-78-9;4-Nitropyridine-2-carboxylic acid 1-oxide;2-Carboxy-4-nitropyridine 1-oxide;4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid;4-Nitropicolinic acid-N-oxide;2-Carboxy-4-nitropyridine1-oxide;2-Pyridinecarboxylic acid, 4-nitro-, 1-oxide;2-Carboxylic Acid-4-Nitropyridine-1-Oxide;NCIOpen2_000217;SCHEMBL8539941;DTXSID10164223;2-carboxy-4-nitropyridine N-oxide;NSC63059;EINECS 239-008-6;NSC-63059;AKOS006306698;A3274;FT-0759166;2-CARBOXY-4-NITROPYRIDIN-1-IUM-1-OLATE;J-400646

Chemical Property of 4-Nitropyridine-2-carboxylic acid 1-oxide

Chemical Property:

• Melting Point: 148 °C
• Boiling Point: 553.6 °C at 760 mmHg
• PKA: 1.00±0.50(Predicted)
• Flash Point: 288.6 °C
• PSA: 108.58000
• Density: 1.69g/cm³
• LogP: 1.24470
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 184.01202123
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

4-NITROPYRIDINE-2-CARBOXYLIC ACID 1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitropyridine-2-carboxylic acid 1-oxide

There total 5 articles about 4-Nitropyridine-2-carboxylic acid 1-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: 31.0%

2-pyridinecarboxylic acid N-oxide (824-40-8) → 2-carboxy-4-nitropyridine-1-oxide (14933-78-9)

Guidance literature:

With sulfuric acid; nitric acid; at 134.84 ℃; for 3h;

DOI:10.1016/j.chemphys.2018.06.020

Reference yield:

2-Picolinic acid (98-98-6) → 2-carboxy-4-nitropyridine-1-oxide (14933-78-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) KOH; 2.) H₂O₂ / 2.) AcOH

2: HNO₃/H₂SO₄

With potassium hydroxide; sulfuric acid; dihydrogen peroxide; nitric acid;

DOI:10.1016/S0040-4020(01)89209-7

Reference yield:

→ 2-carboxy-4-nitropyridine-1-oxide (14933-78-9)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

4-nitropyridine-2-carboxylic acid

2-pyridinecarboxylic acid N-oxide

2-Picolinic acid

Downstream raw materials:

4-aminopyridine-2-carboxylic acid

7-chloro-1-(p-methoxyphenyl)-furo<3,4-b>pyridine-3(1H)-one

7-chloro-1-hydroxy-2-phenyl-pyrrolo<3,4-b>pyridine-3(1H)-one

4-chloro-3-trimethylsilylpicolinanilide

Refernces

• 1、 Cheng, Wen-Dan,Lin, Chen-Sheng,Zhang, Wei-Long,Zhang, Hao. "Structural designs and property characterizations for second-harmonic generation materials". . p. 1 - 41. Retrieved 2012.
• 2、 Celadnik,Kostalova,Jiska,et al.. "Antituberculotics. XVII. Function derivatives of 4 halogenpicolinic acid and its N oxides (Czech)". . p. 181 - 185. Retrieved 2007/10/07.