CAS 1105191-98-7

5-(2,3-Dihydro-2-methyl-5-benzofuranyl)-3-isoxazolecarboxylic acid

Description:

5-(2,3-Dihydro-2-methyl-5-benzofuranyl)-3-isoxazolecarboxylic acid is a chemical compound characterized by its unique structural features, which include a benzofuran moiety and an isoxazolecarboxylic acid functional group. The presence of the benzofuran ring contributes to its potential biological activity, as benzofurans are often associated with various pharmacological properties. The isoxazole ring, known for its heterocyclic nature, adds to the compound's reactivity and potential interactions with biological targets. This compound may exhibit properties such as anti-inflammatory, analgesic, or neuroprotective effects, although specific biological activities would depend on further empirical studies. Its molecular structure suggests it could participate in hydrogen bonding due to the carboxylic acid group, influencing its solubility and interaction with other molecules. The compound's CAS number, 1105191-98-7, allows for precise identification in chemical databases, facilitating research and development in medicinal chemistry and related fields. Overall, this compound represents a class of organic molecules with potential applications in drug discovery and development.

Formula: C₁₃H₁₁NO₄

InChI: InChI=1S/C13H11NO4/c1-7-4-9-5-8(2-3-11(9)17-7)12-6-10(13(15)16)14-18-12/h2-3,5-7H,4H2,1H3,(H,15,16)

InChI key: InChIKey=FDFUPAPRPNGHFY-UHFFFAOYSA-N

SMILES: CC1CC=2C(=CC=C(C2)C3=CC(C(O)=O)=NO3)O1

Synonyms:

• 3-Isoxazolecarboxylic acid, 5-(2,3-dihydro-2-methyl-5-benzofuranyl)-
• 5-(2,3-Dihydro-2-methyl-5-benzofuranyl)-3-isoxazolecarboxylic acid