2-Amino-5-nitroisonicotinic acid

Base Information

• Chemical Name: 2-Amino-5-nitroisonicotinic acid
• CAS No.: 84487-09-2
• Molecular Formula: C₆H₅N₃O₄
• Molecular Weight: 183.123
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70516047
• Wikidata: Q82377268
• Mol file: 84487-09-2.mol

Synonyms:2-Amino-5-nitroisonicotinic acid;84487-09-2;2-amino-5-nitropyridine-4-carboxylic acid;SCHEMBL8566789;2-Amino-5-nitroisonicotinicacid;DTXSID70516047;CS-0456142;FT-0689658;G10926

Chemical Property of 2-Amino-5-nitroisonicotinic acid

Chemical Property:

• PSA: 122.76000
• LogP: 0.72350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 183.02800565
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99%min ^*data from raw suppliers

2-Amino-5-nitroisonicotinicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CN=C1N)[N+](=O)[O-])C(=O)O

Technology Process of 2-Amino-5-nitroisonicotinic acid

There total 4 articles about 2-Amino-5-nitroisonicotinic acid 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: 95.0%

2-nitraminopyridine-4-carboxylic acid (84249-03-6) → 2-amino-5-nitropyridine-4-carboxylic acid (84487-09-2)

Guidance literature:

With sulfuric acid; at 0 - 20 ℃;

Reference yield:

2-acetylamino-4-methylpyridine (5327-32-2) → 2-amino-5-nitropyridine-4-carboxylic acid (84487-09-2)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. KMnO₄ / 10 h / 75 °C

2: 10percent NaOH

3: concd. H₂SO₄, fuming HNO₃ / 0.33 h / 0 °C

4: 95 percent / concd. H₂SO₄ / 0 - 20 °C

With sodium hydroxide; potassium permanganate; sulfuric acid; nitric acid;

Reference yield:

2-aminoisonicotinic acid (13362-28-2) → 2-amino-5-nitropyridine-4-carboxylic acid (84487-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: concd. H₂SO₄, fuming HNO₃ / 0.33 h / 0 °C

2: 95 percent / concd. H₂SO₄ / 0 - 20 °C

With sulfuric acid; nitric acid;

upstream raw materials:

2-nitraminopyridine-4-carboxylic acid

2-acetylamino-4-methylpyridine

2-aminoisonicotinic acid

2-(acetylamino)isonicotinic acid

Refernces

• 1、 Deady, Leslie W.,Korytsky, Olga L.. "Kinetic Studies of the Mechanism of the Nitraminopyridine Rearrangement". . p. 2035 - 2040. Retrieved 2007/10/02.