CAS 917388-44-4

Ethyl 5-methyl-3-(3-methylphenyl)-4-isoxazolecarboxylate

Description:

Ethyl 5-methyl-3-(3-methylphenyl)-4-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen atoms. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the 5-methyl and 3-(3-methylphenyl) substituents indicates that it has a complex aromatic character, which can influence its physical and chemical properties, such as boiling point, melting point, and reactivity. Typically, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. The isoxazole moiety is often associated with various biological activities, including anti-inflammatory and analgesic properties. Additionally, the compound's structure suggests potential applications in organic synthesis and medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact would depend on its chemical behavior and interactions.

Formula: C₁₄H₁₅NO₃

InChI: InChI=1S/C14H15NO3/c1-4-17-14(16)12-10(3)18-15-13(12)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3

InChI key: InChIKey=CQALDJFJGXWTDU-UHFFFAOYSA-N

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

Synonyms:

• 4-Isoxazolecarboxylic acid, 5-methyl-3-(3-methylphenyl)-, ethyl ester
• Ethyl 5-methyl-3-(3-methylphenyl)-4-isoxazolecarboxylate
• 5-Methyl-3-(m-tolyl)isoxazole-4-carboxylic acid ethyl ester