CAS 905808-61-9

4-[(3-Methoxyphenoxy)methyl]-5-methyl-3-isoxazolecarboxylic acid

Description:

4-[(3-Methoxyphenoxy)methyl]-5-methyl-3-isoxazolecarboxylic acid, with the CAS number 905808-61-9, is a chemical compound characterized by its isoxazole core, which is a five-membered heterocyclic ring containing both nitrogen and oxygen. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of the methoxyphenoxy and methyl substituents indicates that it has both aromatic and aliphatic characteristics, which can influence its solubility and biological activity. The methoxy group typically enhances lipophilicity, while the carboxylic acid group can engage in hydrogen bonding, affecting its interactions in biological systems. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its structural complexity suggests potential applications in various fields, including pharmaceuticals and agrochemicals, although specific biological activities and mechanisms would require further investigation.

Formula: C₁₃H₁₃NO₅

InChI: InChI=1S/C13H13NO5/c1-8-11(12(13(15)16)14-19-8)7-18-10-5-3-4-9(6-10)17-2/h3-6H,7H2,1-2H3,(H,15,16)

InChI key: InChIKey=JKFQDKGIXAAERF-UHFFFAOYSA-N

SMILES: C(OC1=CC(OC)=CC=C1)C=2C(C(O)=O)=NOC2C

Synonyms:

• 3-Isoxazolecarboxylic acid, 4-[(3-methoxyphenoxy)methyl]-5-methyl-
• 4-[(3-Methoxyphenoxy)methyl]-5-methyl-3-isoxazolecarboxylic acid