CAS 1119451-00-1

5-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-2-furancarboxylic acid

Description:

5-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-2-furancarboxylic acid is a chemical compound characterized by its unique structural features, which include a furan ring and an isoxazole moiety. The presence of the furan ring contributes to its aromatic properties, while the isoxazole group introduces heteroatoms that can influence its reactivity and biological activity. This compound is likely to exhibit moderate solubility in organic solvents due to its polar functional groups, and it may participate in various chemical reactions, such as esterification or nucleophilic substitutions, owing to the presence of the carboxylic acid group. Its potential applications could span across pharmaceuticals and agrochemicals, particularly in the development of bioactive compounds. The specific arrangement of substituents, including the dimethyl groups on the isoxazole, may enhance its lipophilicity and influence its interaction with biological targets. Overall, this compound represents a class of organic molecules that could be of interest in medicinal chemistry and material science.

Formula: C₁₂H₁₃NO₅

InChI: InChI=1S/C12H13NO5/c1-7-10(8(2)18-13-7)6-16-5-9-3-4-11(17-9)12(14)15/h3-4H,5-6H2,1-2H3,(H,14,15)

InChI key: InChIKey=KEZIXDPQOKVUHD-UHFFFAOYSA-N

SMILES: C(OCC=1C(C)=NOC1C)C=2OC(C(O)=O)=CC2

Synonyms:

• 2-Furancarboxylic acid, 5-[[(3,5-dimethyl-4-isoxazolyl)methoxy]methyl]-
• 5-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-2-furancarboxylic acid