CAS 1105191-90-9

5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile

Description:

5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile, identified by its CAS number 1105191-90-9, is a chemical compound characterized by its unique structural features, which include a benzodioxole moiety and an isoxazole ring. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, contributing to its potential biological activity. The presence of the nitrile group suggests that it may participate in nucleophilic reactions, while the isoxazole ring can influence its reactivity and solubility. Such compounds are often studied for their pharmacological properties, including potential applications in medicinal chemistry. The benzodioxole structure may enhance interactions with biological targets, making it of interest in drug development. Additionally, the compound's stability, solubility, and reactivity can vary based on environmental conditions and the presence of other functional groups. Overall, 5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile represents a class of compounds that may offer diverse applications in research and industry, particularly in the fields of pharmaceuticals and agrochemicals.

Formula: C₁₂H₈N₂O₃

InChI: InChI=1S/C12H8N2O3/c13-4-3-9-6-11(17-14-9)8-1-2-10-12(5-8)16-7-15-10/h1-2,5-6H,3,7H2

InChI key: InChIKey=QACRJTGBJZYMHW-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=C(C=2C=C3C(=CC2)OCO3)ON1

Synonyms:

• 3-Isoxazoleacetonitrile, 5-(1,3-benzodioxol-5-yl)-
• 5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile