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CAS 2006277-52-5

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Methyl 3-[hydroxy[4-(trifluoromethyl)phenyl]methyl]-4-isoxazolecarboxylate

Description:
Methyl 3-[hydroxy[4-(trifluoromethyl)phenyl]methyl]-4-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of a hydroxy group and a trifluoromethyl group on the phenyl ring enhances its biological activity and lipophilicity, making it of interest in pharmaceutical research. The trifluoromethyl group is known to influence the electronic properties of the molecule, potentially affecting its interaction with biological targets. Additionally, the isoxazolecarboxylate moiety may exhibit various chemical reactivities, including potential for esterification and nucleophilic substitution. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific biological activities and safety profiles would require further investigation through empirical studies.
Formula:C13H10F3NO4
InChI:InChI=1S/C13H10F3NO4/c1-20-12(19)9-6-21-17-10(9)11(18)7-2-4-8(5-3-7)13(14,15)16/h2-6,11,18H,1H3
InChI key:InChIKey=DMUHOBKOHQAMNP-UHFFFAOYSA-N
SMILES:C(O)(C=1C(C(OC)=O)=CON1)C2=CC=C(C(F)(F)F)C=C2
Synonyms:
  • 4-Isoxazolecarboxylic acid, 3-[hydroxy[4-(trifluoromethyl)phenyl]methyl]-, methyl ester
  • Methyl 3-[hydroxy[4-(trifluoromethyl)phenyl]methyl]-4-isoxazolecarboxylate
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