CAS 1158735-35-3

Benzonitrile, 2-[5-(hydroxymethyl)-3-isoxazolyl]-

Description:

Benzonitrile, 2-[5-(hydroxymethyl)-3-isoxazolyl]- is an organic compound characterized by its structural features, which include a benzonitrile moiety and an isoxazole ring with a hydroxymethyl substituent. The presence of the nitrile group (-C≡N) contributes to its polarity and potential reactivity, making it useful in various chemical applications. The isoxazole ring, a five-membered heterocyclic compound containing both nitrogen and oxygen, imparts unique electronic properties and can influence the compound's biological activity. The hydroxymethyl group (-CH2OH) enhances the compound's solubility in polar solvents and may participate in hydrogen bonding, affecting its interactions in biological systems. This compound may be of interest in medicinal chemistry and material science due to its potential applications in drug development and as a building block for more complex molecules. Its specific properties, such as melting point, boiling point, and solubility, would require experimental determination or reference to detailed chemical databases for precise values.

Formula: C₁₁H₈N₂O₂

InChI: InChI=1S/C11H8N2O2/c12-6-8-3-1-2-4-10(8)11-5-9(7-14)15-13-11/h1-5,14H,7H2

InChI key: InChIKey=FRFPFNMSPHBZBX-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C=CC=C1)C=2C=C(CO)ON2

Synonyms:

• Benzonitrile, 2-[5-(hydroxymethyl)-3-isoxazolyl]-
• 2-[5-(Hydroxymethyl)-3-isoxazolyl]Benzonitrile
• 2-[5-(Hydroxymethyl)-1,2-oxazol-3-yl]benzonitrile