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CAS 898777-73-6

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Ethyl η-oxo-2-(trifluoromethyl)benzeneoctanoate

Description:
Ethyl η-oxo-2-(trifluoromethyl)benzeneoctanoate, identified by its CAS number 898777-73-6, is a chemical compound that features a complex structure combining an ethyl ester with a trifluoromethyl group and a ketone functionality. This compound typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid with a pleasant odor. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its reactivity and biological activity. Ethyl η-oxo-2-(trifluoromethyl)benzeneoctanoate may be utilized in various applications, including organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Its unique structural features suggest potential for specific interactions in biological systems, making it of interest in medicinal chemistry. As with many fluorinated compounds, it may exhibit stability under certain conditions, but care should be taken regarding its handling and environmental impact due to the presence of fluorine atoms. Always consult safety data sheets and relevant literature for detailed handling and safety information.
Formula:C17H21F3O3
InChI:InChI=1S/C17H21F3O3/c1-2-23-16(22)12-6-4-3-5-11-15(21)13-9-7-8-10-14(13)17(18,19)20/h7-10H,2-6,11-12H2,1H3
InChI key:InChIKey=MUTVDZKVEYQAKM-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=C(C(F)(F)F)C=CC=C1
Synonyms:
  • Ethyl η-oxo-2-(trifluoromethyl)benzeneoctanoate
  • Benzeneoctanoic acid, η-oxo-2-(trifluoromethyl)-, ethyl ester
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