Methyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate

Base Information

• Chemical Name: Methyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
• CAS No.: 18724-73-7
• Molecular Formula: C9H8N2O3
• Molecular Weight: 192.174
• Hs Code.: 2933399090
• NSC Number: 123101
• DSSTox Substance ID: DTXSID10298436
• Wikidata: Q82040247
• Mol file: 18724-73-7.mol

Synonyms:18724-73-7;methyl 3-cyano-2-hydroxy-6-methylisonicotinate;methyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate;methyl 3-cyano-2-hydroxy-6-methylpyridine-4-carboxylate;methyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate;NSC123101;SCHEMBL10746996;DTXSID10298436;BBL032507;MFCD13810049;STL244759;STL373180;AKOS015997347;AKOS025282237;AM86715;NSC-123101;SB52969;VS-11310;CS-0328441;methyl3-cyano-2-hydroxy-6-methylisonicotinate;F2185-1580;methyl 6-methyl-2-oxo-3-cyano-1,2-dihydro-pyridine-4-carboxylate

Chemical Property of Methyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate

Chemical Property:

• Vapor Pressure: 1.93E-05mmHg at 25°C
• Boiling Point: 362.4°C at 760 mmHg
• Flash Point: 173°C
• PSA: 82.95000
• Density: 1.3g/cm³
• LogP: 0.34158
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.05349212
• Heavy Atom Count: 14
• Complexity: 409

Purity/Quality:

99%min ^*data from raw suppliers

Methyl3-cyano-2-hydroxy-6-methylpyridine-4-carboxylate 96% ^*data from reagent 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)OC
• Uses: Methyl 3-Cyano-2-hydroxy-6-methylpyridine-4-carboxylate is used as a reactant in the preparation of S1P1 receptor agonist ACT-209905 via peptide coupling between amino isonicotinic acid and hydroxy benzamidine key building blocks, followed by alkylation and epoxide ring opening.