Description

1-Butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CAS No. 39108-47-9) is a high-purity pyridine derivative with the molecular formula C₁₁H₁₄N₂O₂. This specialized organic compound is designed for advanced research applications, particularly in pharmaceutical and agrochemical development. The product is supplied as a fine crystalline powder with a typical purity of ≥97% (HPLC), ensuring consistency for sensitive experiments. Its unique structure, featuring both nitrile and hydroxyl functional groups on a pyridine backbone, makes it a valuable intermediate for heterocyclic synthesis. Each batch undergoes rigorous QC testing including NMR, HPLC, and mass spectrometry to guarantee structural integrity. Proper storage at 2-8°C in airtight containers is recommended to maintain stability. This product is intended for research use only and not for human consumption.

Properties

• CAS Number: 39108-47-9
• Complexity: 385
• IUPAC Name: 1-butyl-2-hydroxy-4-methyl-6-oxo-pyridine-3-carbonitrile
• InChI: InChI=1S/C11H14N2O2/c1-3-4-5-13-10(14)6-8(2)9(7-12)11(13)15/h6,15H,3-5H2,1-2H3
• InChI Key: JSCJSXHNBIXPBU-UHFFFAOYSA-N
• Exact Mass: 206.105527694
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.24
• SMILES: CCCCN1C(=O)C=C(C(=C1O)C#N)C
• Topological: 64.3
• Monoisotopic Mass: 206.105527694
• Synonyms: 39108-47-9, 3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, EINECS 254-296-3, DTXSID5068158, 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile, 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, DTXCID2039596, 254-296-3, N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone, 1-butyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile, N-BUTYL-3-CYANO-4-METHYL-6-HYDROXY-2-PYRIDONE, 3-Cyano-4-Methyl-6-Hydroxy-N-Butyl Pyridone, Maybridge4_003434, 1-butyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile, Oprea1_266860, SCHEMBL623429, SCHEMBL9723680, HMS1530M02, YX55959N4J, PBA10847, MFCD00277933, STK716446, AKOS000117302, AKOS015918161, NS00058667, EN300-08765, E86017, 1-butyl-2-hydroxy-5-cyano-4-methylpyrid-6-one, 1-butyl-3-cyano-4-methyl-6-hydroxy-2-pyridone, 1-butyl-3-cyano-4-methyl-6-hydroxypyrid-2-one, 1-butyl-3-cyano-6-hydroxy-4-methylpyrid-2-one, 1-Butyl-2-hydroxy-4-methyl-5-cyano-6-pyridinone, SR-01000050460, SR-01000050460-1, BRD-K37987635-001-01-1, Z56968855

Application

This compound serves as a key intermediate in the synthesis of novel pharmaceutical compounds, particularly those targeting neurological disorders. Researchers utilize its reactive nitrile group for further functionalization in drug discovery pipelines. The pyridine core structure makes it valuable for developing metal-chelating agents in catalytic systems. In agrochemical research, it’s investigated as a precursor for next-generation crop protection agents.

Safety and Hazards

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.