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CAS 737772-45-1

:

Ethyl α,γ-dioxo-3-(trifluoromethyl)benzenebutanoate

Description:
Ethyl α,γ-dioxo-3-(trifluoromethyl)benzenebutanoate, identified by its CAS number 737772-45-1, is a synthetic organic compound characterized by its complex structure, which includes a trifluoromethyl group and a dioxo moiety. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can influence its solubility and reactivity. The dioxo functional groups suggest potential for reactivity in various chemical transformations, making it a candidate for applications in pharmaceuticals or agrochemicals. The ethyl ester component indicates that it may participate in esterification or hydrolysis reactions. Additionally, the presence of multiple functional groups can lead to interesting interactions in biological systems, potentially affecting its pharmacokinetics and biological activity. Overall, this compound's unique structural features contribute to its potential utility in various chemical and industrial applications, although specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.
Formula:C13H11F3O4
InChI:InChI=1S/C13H11F3O4/c1-2-20-12(19)11(18)7-10(17)8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3
InChI key:InChIKey=SMRXWQFVAQRZKU-UHFFFAOYSA-N
SMILES:C(CC(C(OCC)=O)=O)(=O)C1=CC(C(F)(F)F)=CC=C1
Synonyms:
  • Ethyl 2,4-dioxo-4-[3-(trifluoromethyl)phenyl]butanoate
  • Benzenebutanoic acid, α,γ-dioxo-3-(trifluoromethyl)-, ethyl ester
  • 2,4-Dioxo-4-(3-trifluoromethylphenyl)butyric acid ethyl ester
  • Ethyl α,γ-dioxo-3-(trifluoromethyl)benzenebutanoate
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