6-Hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 6-Hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 56704-29-1
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.1613
• European Community (EC) Number: 654-266-3
• NSC Number: 78441
• DSSTox Substance ID: DTXSID20291817
• Nikkaji Number: J1.741.751G
• Wikidata: Q82029878
• Mol file: 56704-29-1.mol

Synonyms:6-hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;56704-29-1;6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile;NSC78441;2,6-dihydroxy-4,5-dimethylpyridine-3-carbonitrile;SCHEMBL1086023;SCHEMBL8901518;DTXSID20291817;DHPHUDCGMJKPHT-UHFFFAOYSA-N;NSC-78441;AKOS005158528;AKOS005159034;2,6-Dihydroxy-4,5-dimethylnicotinonitrile;3-Cyano-4,5-dimethyl-6-hydroxypyrid-2-one;CS-0077245

Chemical Property of 6-Hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 8.57E-06mmHg at 25°C
• Boiling Point: 335.1°C at 760 mmHg
• Flash Point: 156.5°C
• Density: 1.31g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 355

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=C1C)O)C#N

Technology Process of 6-Hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

There total 11 articles about 6-Hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile 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: 94.0%

2-acetylpropanoic acid ethyl ester (609-14-3) + cyanoacetic acid amide (107-91-5) → 2,6-dihydroxy-4,5-dimethylnicotinonitrile (56704-29-1)

Guidance literature:

With potassium hydroxide; In methanol; for 4h; Reflux;

Reference yield:

2-acetylpropanoic acid ethyl ester (609-14-3) + cyanoacetic acid amide (107-91-5) → 6-hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (56704-29-1)

Guidance literature:

With potassium hydroxide; In methanol; at 65 ℃; for 4h;

Reference yield:

ethyl acetoacetate (141-97-9) + cyanoacetic acid amide (107-91-5) → 6-hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (56704-29-1)

Guidance literature:

upstream raw materials:

2-methyl-3-oxobutanamide

ethyl 2-cyanoacetate

ammonia

2-acetylpropanoic acid ethyl ester