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CAS 1208081-29-1

:

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

Description:
Methyl 3-methyl-5-(4-methylphenyl)-4-isoxazolecarboxylate, identified by its CAS number 1208081-29-1, is an organic compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a methyl group and a 4-methylphenyl group, contributing to its hydrophobic characteristics and potential biological activity. The presence of the carboxylate functional group indicates that it can participate in various chemical reactions, such as esterification or nucleophilic substitution. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the isoxazole moiety's known bioactivity. Additionally, the compound's solubility and reactivity may be influenced by the substituents on the isoxazole ring, making it a candidate for further research in organic synthesis and drug design. As with many organic compounds, safety and handling precautions should be observed, particularly regarding its stability and potential toxicity.
Formula:C13H13NO3
InChI:InChI=1S/C13H13NO3/c1-8-4-6-10(7-5-8)12-11(13(15)16-3)9(2)14-17-12/h4-7H,1-3H3
InChI key:InChIKey=WPYTZLQBFQUQSK-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(ON=C1C)C2=CC=C(C)C=C2
Synonyms:
  • Methyl 3-methyl-5-(4-methylphenyl)-4-isoxazolecarboxylate
  • 4-Isoxazolecarboxylic acid, 3-methyl-5-(4-methylphenyl)-, methyl ester
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