Description

3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo- (CAS No. 21642-98-8) is a high-purity heterocyclic compound with the molecular formula C₇H₆N₂O₂. This specialized chemical, also known by its IUPAC name 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile, is a valuable intermediate in organic synthesis and pharmaceutical research. Its unique pyridine-based structure, featuring both methoxy and nitrile functional groups, makes it a versatile building block for drug discovery and fine chemical applications. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a fine, crystalline powder with excellent batch-to-batch consistency. Suitable for research scale applications, this compound is packaged under inert atmosphere to ensure long-term stability. Technical data including NMR, HPLC, and MS spectra are available upon request.

Properties

• CAS Number: 21642-98-8
• Complexity: 293
• IUPAC Name: 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
• InChI: InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)
• InChI Key: MWGIDWPSRDMIQN-UHFFFAOYSA-N
• Exact Mass: 150.042927438
• Molecular Formula: C7H6N2O2
• Molecular Weight: 150.13
• SMILES: COC1=C(C(=O)NC=C1)C#N
• Topological: 62.1
• Monoisotopic Mass: 150.042927438
• Synonyms: 21642-98-8, 4-Methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile, 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile, 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-, DTXSID60176033, DTXCID8098524, 800-656-5, 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile, N-Demethylricinine, 3-Cyano-2-hydroxy-4-methoxypyridine, 4-methoxy-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 2-HYDROXY-4-METHOXYNICOTINONITRILE, 3-Cyano-4-methoxy-2-(1H)-pyridinone, 3-Cyano-4-methoxy-2-pyridone, 1,2-dihydro-4-methoxy-2-oxopyridine-3-carbonitrile, 3-CYANO-4-METHOXY-2(1H)-PYRIDINONE, MFCD00975442, N-Demethylricinine-13C3, N-Demethyl Ricinine, 4-methoxy-2-oxohydropyridine-3-carbonitrile, SCHEMBL103159, SCHEMBL172315, CHEMBL350154, 3-Cyano-4-methoxy-2-pyridinone, MWGIDWPSRDMIQN-UHFFFAOYSA-N, BCP04139, CS-D0769, CL0187, SBB055629, AKOS005070058, AKOS006280511, AKOS015961823, 3-Cyano-4-methoxy-2-(1H)-pyridione, AB43127, AC-1949, 3-Cyano-4-methoxyl-2-(1H)-pyridione, HY-65008, SY007475, DB-006415, C2925, ST50950002, 2K-028, A18451, EN300-116245, Z1741973389, 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile; 1,2-Dihydro-4-methoxy-2-oxonicotinonitrile; 3-Cyano-2-hydroxy-4-methoxypyridine; 4-Methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile; N-Demethylricinine;

Application

This compound serves as a key synthetic intermediate in the preparation of novel pharmaceutical compounds, particularly in the development of kinase inhibitors and other bioactive molecules. Researchers utilize its reactive nitrile group for further functionalization through nucleophilic addition or cyclization reactions. The methoxy and carbonyl groups provide additional sites for chemical modification, making it valuable for structure-activity relationship studies in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (66.7%)
• Acute Tox. 3 (33.3%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 3 (33.3%)
• Acute Tox. 4 (66.7%)
• STOT SE 3 (66.7%)

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