CAS 321391-96-2

1-[6-(2-Fluorophenyl)-3a,4,8,8a-tetrahydro[1,3]dioxepino[5,6-d]isoxazol-3-yl]ethanone

Description:

1-[6-(2-Fluorophenyl)-3a,4,8,8a-tetrahydro[1,3]dioxepino[5,6-d]isoxazol-3-yl]ethanone, with the CAS number 321391-96-2, is a synthetic organic compound characterized by its complex molecular structure, which includes a dioxepine and isoxazole moiety. This compound features a fluorophenyl group, contributing to its potential biological activity and interaction with various biological targets. The presence of the ethanone functional group suggests that it may exhibit ketone-like reactivity, which can influence its chemical behavior and stability. The tetrahydro structure indicates that it is a saturated derivative, which may enhance its solubility and bioavailability. Such compounds are often investigated for their pharmacological properties, including potential applications in medicinal chemistry. The specific arrangement of atoms and functional groups in this compound may lead to unique interactions in biological systems, making it a subject of interest in drug discovery and development. However, detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₄H₁₄FNO₄

InChI: InChI=1S/C14H14FNO4/c1-8(17)13-10-6-18-14(19-7-12(10)20-16-13)9-4-2-3-5-11(9)15/h2-5,10,12,14H,6-7H2,1H3

InChI key: InChIKey=UBUZNYPKIGQDGY-UHFFFAOYSA-N

SMILES: C(C)(=O)C=1C2C(COC(OC2)C3=C(F)C=CC=C3)ON1

Synonyms:

• Ethanone, 1-[6-(2-fluorophenyl)-3a,4,8,8a-tetrahydro[1,3]dioxepino[5,6-d]isoxazol-3-yl]-
• 1-[6-(2-Fluorophenyl)-3a,4,8,8a-tetrahydro[1,3]dioxepino[5,6-d]isoxazol-3-yl]ethanone