2-(3-Nitroanilino)-3-carboxypyridine

Base Information

• Chemical Name: 2-(3-Nitroanilino)-3-carboxypyridine
• CAS No.: 57978-48-0
• Molecular Formula: C₁₂H₉N₃O₄
• Molecular Weight: 259.221
• DSSTox Substance ID: DTXSID701227242
• Mol file: 57978-48-0.mol

Synonyms:57978-48-0;2-(3-nitroanilino)-3-carboxypyridine;SCHEMBL5250932;XYTDWEFEUCVUHK-UHFFFAOYSA-N;DTXSID701227242;AKOS000740812;SR-01000354476;2-[(3-Nitrophenyl)amino]-3-pyridinecarboxylic acid;SR-01000354476-1

Chemical Property of 2-(3-Nitroanilino)-3-carboxypyridine

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 259.05930578
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C=CC=N2)C(=O)O

Technology Process of 2-(3-Nitroanilino)-3-carboxypyridine

There total 4 articles about 2-(3-Nitroanilino)-3-carboxypyridine 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: 57.0%

potassium 2-chloro-nicotinate (97510-86-6) + 3-nitro-aniline (99-09-2) → 2-(m-nitrophenylamino)nicotinic acid (57978-48-0)

Guidance literature:

With 4-methyl-morpholine; copper diacetate; In N,N-dimethyl-formamide; at 150 ℃; for 4h; Inert atmosphere;

Reference yield: 56.0%

N-ethylmorpholine; (100-74-3) + copper diacetate (142-71-2) + potassium 2-chloro-nicotinate (97510-86-6) + 3-nitro-aniline (99-09-2) → 2-(m-nitrophenylamino)nicotinic acid (57978-48-0)

Guidance literature:

With hydrogenchloride; In N-methyl-acetamide;

Reference yield: 56.0%

2-chloronicotinic acid (2942-59-8) + 3-nitro-aniline (99-09-2) → 2-(m-nitrophenylamino)nicotinic acid (57978-48-0)

Guidance literature:

With copper; potassium carbonate; In N,N-dimethyl-formamide; for 15h; Heating;

DOI:10.1016/0223-5234(94)90071-X

upstream raw materials:

2-chloronicotinic acid

3-nitro-aniline

N-ethylmorpholine;

copper diacetate

Downstream raw materials:

2-(3-nitroanilino)-3-carbamoylpyridine

C₁₈H₁₅N₅O₃

2-(3-nitroanilino)-3-aminomethylpyridine

1-(3-nitro-phenyl)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one