4-Pyridinecarboxamide, 3-cyano-1,2-dihydro-6-methyl-2-oxo-

Base Information

• Chemical Name: 4-Pyridinecarboxamide, 3-cyano-1,2-dihydro-6-methyl-2-oxo-
• CAS No.: 90110-69-3
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.1601
• NSC Number: 129782
• DSSTox Substance ID: DTXSID40299370
• Wikidata: Q82041734
• Mol file: 90110-69-3.mol

Synonyms:90110-69-3;4-pyridinecarboxamide, 3-cyano-1,2-dihydro-6-methyl-2-oxo-;3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxamide;3-cyano-2-hydroxy-6-methylpyridine-4-carboxamide;NSC129782;DTXSID40299370;IFFGCBWRVDWTNU-UHFFFAOYSA-N;STK694197;AKOS005606015;NSC-129782;3-cyano-2-hydroxy-6-methylisonicotinamide;EN300-210253;AO-801/41077558;3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

Chemical Property of 4-Pyridinecarboxamide, 3-cyano-1,2-dihydro-6-methyl-2-oxo-

Chemical Property:

• Vapor Pressure: 2.61E-07mmHg at 25°C
• Boiling Point: 421.4°Cat760mmHg
• Flash Point: 208.7°C
• Density: 1.38g/cm³
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 395

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=O)N1)C#N)C(=O)N

Technology Process of 4-Pyridinecarboxamide, 3-cyano-1,2-dihydro-6-methyl-2-oxo-

There total 2 articles about 4-Pyridinecarboxamide, 3-cyano-1,2-dihydro-6-methyl-2-oxo- 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:

ethyl 3-cyano-2-hydroxy-6-methylisonicotinate (18619-97-1) → 3-cyano-2-hydroxy-6-methyl-isonicotinic acid amide (90110-69-3)

Guidance literature:

With ammonia;

DOI:10.1021/ja01245a051

Reference yield:

2,4-dioxo-valeric acid amide (725240-73-3) + cyanoacetic acid amide (107-91-5) → 3-cyano-2-hydroxy-6-methyl-isonicotinic acid amide (90110-69-3)

Guidance literature:

With ethanol; diethylamine;

Reference yield:

3-cyano-2-hydroxy-6-methyl-isonicotinic acid amide (90110-69-3) → 2-hydroxy-6-methylpyridine-3,4-dicarboxylic acid (2860-55-1)

Guidance literature:

With hydrogenchloride; sodium nitrite;

upstream raw materials:

ethyl 3-cyano-2-hydroxy-6-methylisonicotinate

2,4-dioxo-valeric acid amide

cyanoacetic acid amide

Downstream raw materials:

2-hydroxy-6-methylpyridine-3,4-dicarboxylic acid

3-Amino-2,4-dimethyl-5-cyan-pyridin

5-amino-6-methylpyridine-3,4-dicarbonitrile