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CAS 898768-05-3

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Ethyl 4-[3-(4-fluorophenyl)-1-oxopropyl]benzoate

Description:
Ethyl 4-[3-(4-fluorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898768-05-3, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoate moiety linked to a propyl chain that includes a fluorophenyl substituent, contributing to its unique chemical properties. The presence of the fluorine atom enhances the compound's lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. Ethyl 4-[3-(4-fluorophenyl)-1-oxopropyl]benzoate is typically a solid or liquid at room temperature, depending on its specific formulation and purity. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the compound's stability and reactivity can be influenced by the presence of the fluorine atom and the ester group, which may participate in various chemical reactions, including hydrolysis and transesterification. Overall, this compound represents a valuable structure for further exploration in chemical and biological contexts.
Formula:C18H17FO3
InChI:InChI=1S/C18H17FO3/c1-2-22-18(21)15-8-6-14(7-9-15)17(20)12-5-13-3-10-16(19)11-4-13/h3-4,6-11H,2,5,12H2,1H3
InChI key:InChIKey=AMOPKWWPIUTWLN-UHFFFAOYSA-N
SMILES:C(CCC1=CC=C(F)C=C1)(=O)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • Ethyl 4-[3-(4-fluorophenyl)-1-oxopropyl]benzoate
  • Benzoic acid, 4-[3-(4-fluorophenyl)-1-oxopropyl]-, ethyl ester
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