Description

5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS No. 23819-87-6) is a high-purity heterocyclic compound with the molecular formula C₈H₇BrN₂O. This brominated pyridine derivative is a versatile building block in organic synthesis and pharmaceutical research, particularly in the development of novel bioactive molecules. Its unique structure, featuring a bromo substituent, methyl groups, and a cyano functionality, makes it valuable for nucleophilic substitution reactions, metal-catalyzed cross-couplings, and cyclization strategies. Suitable for researchers in medicinal chemistry, this compound is rigorously tested for quality and consistency, ensuring reliable performance in complex synthetic pathways. Available in various quantities with comprehensive analytical data (HPLC, NMR, MS) to support your research needs.

Properties

• CAS Number: 23819-87-6
• Complexity: 356
• IUPAC Name: 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
• InChI: InChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
• InChI Key: DFGKQCOFARYQOA-UHFFFAOYSA-N
• Exact Mass: 225.97418
• Molecular Formula: C8H7BrN2O
• Molecular Weight: 227.06
• SMILES: CC1=C(C(=O)NC(=C1Br)C)C#N
• Topological: 52.9
• Monoisotopic Mass: 225.97418
• Synonyms: 23819-87-6, 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, DTXSID00353285, DTXCID50304348, 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile, 5-Bromo-2-hydroxy-4,6-dimethylnicotinonitrile, 5-bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, MFCD01117224, 5-bromo-4,6-dimethyl-2-oxohydropyridine-3-carbonitrile, 5-Bromo-2-hydroxy-4,6-dimethylpyridine-3-carbonitrile, MLS000089917, MFCD00052651, 3-pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-, SCHEMBL8650240, SCHEMBL9820198, CHEMBL1446005, DFGKQCOFARYQOA-UHFFFAOYSA-N, HMS2472D03, ALBB-025335, SBB072274, STK736818, AKOS001650835, AKOS015834087, AS-5437, CS-W014698, SMR000024535, SY022528, ST4144058, 5-Bromo-3-cyano-4,6-dimethyl-2-hydroxypyridine, 3W-0879, 5-bromo-3-cyano- 2-hydroxy-4,6-dimethylpyridine, 5-bromo-3-cyano-2-hydroxy -4,6-dimethylpyridine, AG-690/11665793, SR-01000479264, SR-01000479264-1, 5-Bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, 98%, F0913-3252

This compound serves as a key intermediate in the synthesis of pharmacologically active pyridine derivatives, including potential kinase inhibitors and antimicrobial agents. It is used in medicinal chemistry for structure-activity relationship (SAR) studies due to its modifiable bromo and cyano groups. Researchers also employ it in metal-catalyzed cross-coupling reactions (e.g., Suzuki-Miyaura) to construct complex heterocycles. Its stability and reactivity make it suitable for high-throughput screening libraries.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

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