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CAS 31301-46-9

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3,5-Dimethyl-4-isoxazolecarbonitrile

Description:
3,5-Dimethyl-4-isoxazolecarbonitrile is an organic compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. The presence of two methyl groups at the 3 and 5 positions of the isoxazole ring contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. The carbonitrile functional group at the 4-position enhances its reactivity, making it useful in various synthetic applications. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its structure allows for potential interactions with biological targets, which has led to interest in its use in medicinal chemistry and agrochemical applications. Safety data indicates that, like many nitriles, it should be handled with care due to potential toxicity. Overall, 3,5-Dimethyl-4-isoxazolecarbonitrile is a versatile compound with applications in research and industry, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C6H6N2O
InChI:InChI=1S/C6H6N2O/c1-4-6(3-7)5(2)9-8-4/h1-2H3
InChI key:InChIKey=NBLIVFMKDQOTHN-UHFFFAOYSA-N
SMILES:C(#N)C=1C(C)=NOC1C
Synonyms:
  • 3,5-Dimethyl-1,2-oxazole-4-carbonitrile
  • 3,5-Dimethyl-4-isoxazolecarbonitrile
  • 4-Cyano-3,5-dimethylisoxazole
  • 4-Isoxazolecarbonitrile, 3,5-Dimethyl-
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