Description

3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo- (CAS No. 27074-03-9) is a high-purity organic compound with the molecular formula C₈H₈N₂O₂. This heterocyclic nitrile derivative is characterized by its pyridine core functionalized with hydroxyl, methyl, and oxo groups, making it a versatile intermediate in pharmaceutical and agrochemical research. Its IUPAC name, 2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile, reflects its precise structural configuration. Suitable for use in synthetic chemistry, this compound is rigorously tested for quality and consistency, ensuring optimal performance in advanced applications. Packaged under inert conditions to maintain stability, it is ideal for researchers requiring reliable and well-characterized building blocks.

Properties

• CAS Number: 27074-03-9
• Complexity: 343
• IUPAC Name: 2-hydroxy-1,4-dimethyl-6-oxo-pyridine-3-carbonitrile
• InChI: InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,12H,1-2H3
• InChI Key: PJKGLFXXEKCAIE-UHFFFAOYSA-N
• Exact Mass: 164.058577502
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.16
• SMILES: CC1=CC(=O)N(C(=C1C#N)O)C
• Topological: 64.3
• Monoisotopic Mass: 164.058577502
• Synonyms: 27074-03-9, 1,4-Dimethyl-3-cyano-6-hydroxypyrid-2-one, 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-, EINECS 248-209-8, BRN 0474348, 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile, 39621-10-8, 1,2-Dihydro-1,4-dimethyl-6-hydroxy-2-oxonicotinonitrile, 3-Pyridinecarbonitrile, 1,2-dihydro-1,4-dimethyl-2-oxo-, Nicotinonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-, DTXSID201176121, 1,6-DIHYDRO-2-HYDROXY-1,4-DIMETHYL-6-OXO-3-PYRIDINECARBONITRILE, Nicotinonitrile, 1,2-dihydro-1,4-dimethyl-6-hydroxy-2-oxo-, DTXCID601607493, 6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, N-methyl-3-cyano-6-hydroxy-4-methyl-2-pyridone, 2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile, 6-hydroxy-1,4-dimethyl-2-oxohydropyridine-3-carbonitrile, 2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile, MFCD00044065, Oprea1_715693, 95DJX4A8E7, SCHEMBL4614217, SCHEMBL8984149, SCHEMBL9511928, PJKGLFXXEKCAIE-UHFFFAOYSA-N, HMS1765J10, ALBB-023285, N-METHYL-3-AMINOCARBONYL-6-HYDROXY-4-METHYL-2-PYRIDONE, SBB000150, STK868975, AKOS000286773, AKOS000295352, AT19263, SB84685, ST021009, DB-047155, 1,4-dimethyl-2-hydroxy-5-cyano-6-pyridone, 3-cyano-1,4-dimethyl-6-hydroxy-2-pyridone, CS-0215909, EN300-30842, Z56913114, F1673-6302, 2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarbonitrile, 1,4-Dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyrimidine-3-carbonitrile

Application

This compound serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of novel pyridine-based therapeutics. Its reactive nitrile and hydroxyl groups enable facile derivatization for drug discovery and medicinal chemistry applications. Researchers also utilize it in agrochemical studies to explore potential bioactive molecules. Its structural features make it valuable for studying heterocyclic reaction mechanisms.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Eye Irrit. 2 (100%)

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