CAS 91569-59-4

5-Methyl-3-(4-methylphenyl)-4-isoxazolecarboxylic acid

Description:

5-Methyl-3-(4-methylphenyl)-4-isoxazolecarboxylic acid, with the CAS number 91569-59-4, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of a methyl group and a para-substituted methylphenyl group enhances its hydrophobic characteristics, potentially influencing its solubility and reactivity. The isoxazole moiety is known for its biological activity, often being explored in pharmaceutical applications. The compound's molecular structure suggests it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. Additionally, its stability and reactivity can be influenced by the substituents on the isoxazole ring, which may affect its synthesis and potential applications. Overall, 5-Methyl-3-(4-methylphenyl)-4-isoxazolecarboxylic acid represents a unique structure that may have implications in various chemical and biological contexts.

Formula: C₁₂H₁₁NO₃

InChI: InChI=1S/C12H11NO3/c1-7-3-5-9(6-4-7)11-10(12(14)15)8(2)16-13-11/h3-6H,1-2H3,(H,14,15)

InChI key: InChIKey=IAGFERXYANTCJG-UHFFFAOYSA-N

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

Synonyms:

• 4-Isoxazolecarboxylic acid, 5-methyl-3-(4-methylphenyl)-
• 5-Methyl-3-(4-methylphenyl)-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 5-methyl-3-p-tolyl-

5-Methyl-3-p-tolyl-isoxazole-4-carboxylic acid

CAS: 91569-59-4

5-Methyl-3-p-tolyl-isoxazole-4-carboxylic acid

Purity: ≥95%

Molecular weight: 217.223g/mol

Ref: 54-OR98021