CAS 1231244-44-2

4-(5-Methyl-3-isoxazolyl)benzoic acid

Description:

4-(5-Methyl-3-isoxazolyl)benzoic acid is an organic compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a 5-methyl-3-isoxazolyl group. This compound features a carboxylic acid functional group (-COOH) that contributes to its acidic properties and potential for forming salts and esters. The isoxazole ring, a five-membered heterocyclic structure containing nitrogen and oxygen, imparts specific reactivity and biological activity to the molecule. The presence of the methyl group on the isoxazole enhances its lipophilicity, potentially influencing its solubility and interaction with biological systems. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry and drug development. Its synthesis typically involves multi-step organic reactions, and it can be analyzed using techniques such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. Overall, 4-(5-Methyl-3-isoxazolyl)benzoic acid represents a class of compounds that can be explored for various applications in pharmaceuticals and agrochemicals.

Formula: C₁₁H₉NO₃

InChI: InChI=1S/C11H9NO3/c1-7-6-10(12-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)

InChI key: InChIKey=JWBIWUOPXGTSBK-UHFFFAOYSA-N

SMILES: CC1=CC(C2=CC=C(C(O)=O)C=C2)=NO1

Synonyms:

• Benzoic acid, 4-(5-methyl-3-isoxazolyl)-
• 4-(5-Methyl-3-isoxazolyl)benzoic acid