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CAS 898752-52-8

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Ethyl 3,4,5-trifluoro-δ-oxobenzenepentanoate

Description:
Ethyl 3,4,5-trifluoro-δ-oxobenzenepentanoate is a chemical compound characterized by its unique structure, which includes a benzene ring substituted with three fluorine atoms at the 3, 4, and 5 positions, along with an ethyl ester functional group. The presence of the trifluoromethyl groups enhances its lipophilicity and may influence its reactivity and biological activity. The δ-oxobenzenepentanoate structure indicates that it contains a ketone functional group adjacent to a pentanoate chain, which can affect its chemical properties, such as solubility and stability. This compound may exhibit interesting pharmacological properties due to the fluorine substituents, which can modulate interactions with biological targets. Additionally, its synthesis and applications could be relevant in medicinal chemistry and material science. As with many fluorinated compounds, it is essential to handle it with care due to potential environmental and health impacts. Overall, Ethyl 3,4,5-trifluoro-δ-oxobenzenepentanoate represents a complex and potentially useful chemical entity in various research fields.
Formula:C13H13F3O3
InChI:InChI=1S/C13H13F3O3/c1-2-19-12(18)5-3-4-11(17)8-6-9(14)13(16)10(15)7-8/h6-7H,2-5H2,1H3
InChI key:InChIKey=AIRZLGBDOJLRHG-UHFFFAOYSA-N
SMILES:C(CCCC(OCC)=O)(=O)C1=CC(F)=C(F)C(F)=C1
Synonyms:
  • Benzenepentanoic acid, 3,4,5-trifluoro-δ-oxo-, ethyl ester
  • Ethyl 3,4,5-trifluoro-δ-oxobenzenepentanoate
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