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CAS 625120-13-0

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Ethyl 5-(trifluoromethyl)-3-isoxazolecarboxylate

Description:
Ethyl 5-(trifluoromethyl)-3-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen atoms. The presence of a trifluoromethyl group (-CF3) significantly influences its chemical properties, enhancing its lipophilicity and potentially its reactivity. This compound typically exhibits a colorless to pale yellow appearance and is soluble in organic solvents. It is often utilized in organic synthesis and medicinal chemistry due to its ability to serve as a building block for various pharmaceuticals and agrochemicals. The ethyl ester functional group contributes to its reactivity, allowing for further derivatization. Additionally, the trifluoromethyl group can impart unique electronic properties, making it valuable in the development of compounds with specific biological activities. Safety data should be consulted for handling and storage, as compounds with trifluoromethyl groups can exhibit toxicity and environmental persistence. Overall, Ethyl 5-(trifluoromethyl)-3-isoxazolecarboxylate is a versatile compound with significant applications in chemical research.
Formula:C7H6F3NO3
InChI:InChI=1S/C7H6F3NO3/c1-2-13-6(12)4-3-5(14-11-4)7(8,9)10/h3H,2H2,1H3
InChI key:InChIKey=BTSIAEREMKEHPF-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=C(C(F)(F)F)ON1
Synonyms:
  • Ethyl 5-(trifluoromethyl)-3-isoxazolecarboxylate
  • 3-Isoxazolecarboxylic acid, 5-(trifluoromethyl)-, ethyl ester
  • 5-Trifluoromethyl-isoxazole-3-carboxylic acid ethyl ester
  • ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
  • Ethyl 5-(trifluoromethyl)-1,2-oxazole-3-carboxylate
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