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CAS 898753-22-5

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Ethyl 2,5-difluoro-η-oxobenzeneoctanoate

Description:
Ethyl 2,5-difluoro-η-oxobenzeneoctanoate, identified by its CAS number 898753-22-5, is a chemical compound that features a complex structure incorporating both fluorine atoms and an ester functional group. The presence of the difluoro substituents indicates that the compound has enhanced reactivity and potential applications in various chemical reactions, particularly in the synthesis of pharmaceuticals or agrochemicals. The "η-oxobenzene" part of the name suggests that the compound may exhibit unique electronic properties due to the presence of a carbonyl group adjacent to the aromatic ring, which can influence its reactivity and interactions with other molecules. Additionally, the octanoate moiety indicates that the compound has a relatively long hydrophobic carbon chain, which may affect its solubility and partitioning behavior in biological systems. Overall, this compound's characteristics make it of interest in fields such as medicinal chemistry and materials science, where fluorinated compounds often exhibit desirable properties.
Formula:C16H20F2O3
InChI:InChI=1S/C16H20F2O3/c1-2-21-16(20)8-6-4-3-5-7-15(19)13-11-12(17)9-10-14(13)18/h9-11H,2-8H2,1H3
InChI key:InChIKey=KVSVHCRYRYTMIX-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=C(F)C=CC(F)=C1
Synonyms:
  • Ethyl 2,5-difluoro-η-oxobenzeneoctanoate
  • Benzeneoctanoic acid, 2,5-difluoro-η-oxo-, ethyl ester
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