CAS 1119452-78-6

3-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-4-methoxybenzoic acid

Description:

3-[[[3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-4-methoxybenzoic acid, identified by its CAS number 1119452-78-6, is a chemical compound characterized by its complex structure, which includes an isoxazole ring and multiple methoxy groups. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, contributing to its potential biological activity. The presence of the isoxazole moiety suggests possible applications in medicinal chemistry, as isoxazoles are often found in pharmaceuticals. The methoxy groups enhance the compound's lipophilicity, potentially influencing its solubility and permeability in biological systems. Additionally, the carboxylic acid functional group may impart acidic properties, affecting its reactivity and interaction with other molecules. Overall, this compound's unique structural features may contribute to its utility in various chemical and biological applications, although specific data on its reactivity, stability, and biological activity would require further investigation.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1S/C15H17NO5/c1-9-13(10(2)21-16-9)8-20-7-12-6-11(15(17)18)4-5-14(12)19-3/h4-6H,7-8H2,1-3H3,(H,17,18)

InChI key: InChIKey=HSSXXLHWIJLJDU-UHFFFAOYSA-N

SMILES: C(OCC=1C(C)=NOC1C)C2=C(OC)C=CC(C(O)=O)=C2

Synonyms:

• Benzoic acid, 3-[[(3,5-dimethyl-4-isoxazolyl)methoxy]methyl]-4-methoxy-
• 3-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-4-methoxybenzoic acid