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CAS 898788-88-0

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Ethyl 2-[3-(3-fluorophenyl)-1-oxopropyl]benzoate

Description:
Ethyl 2-[3-(3-fluorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898788-88-0, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a complex structure that includes a benzoate moiety and a propyl chain substituted with a fluorophenyl group, 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 medicinal chemistry. Ethyl 2-[3-(3-fluorophenyl)-1-oxopropyl]benzoate is typically a solid or liquid at room temperature, depending on its specific formulation and purity. Its synthesis may involve standard organic reactions such as esterification and substitution reactions. The compound's potential applications could span pharmaceuticals, agrochemicals, or materials science, depending on its reactivity and interaction with biological systems. As with any chemical substance, proper handling and safety measures should be observed due to potential toxicity or reactivity.
Formula:C18H17FO3
InChI:InChI=1S/C18H17FO3/c1-2-22-18(21)16-9-4-3-8-15(16)17(20)11-10-13-6-5-7-14(19)12-13/h3-9,12H,2,10-11H2,1H3
InChI key:InChIKey=HQQRJNARYUZQEG-UHFFFAOYSA-N
SMILES:C(CCC1=CC(F)=CC=C1)(=O)C2=C(C(OCC)=O)C=CC=C2
Synonyms:
  • Ethyl 2-[3-(3-fluorophenyl)-1-oxopropyl]benzoate
  • Benzoic acid, 2-[3-(3-fluorophenyl)-1-oxopropyl]-, ethyl ester
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