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CAS 898753-10-1

:

Ethyl 2,4-difluoro-ζ-oxobenzeneheptanoate

Description:
Ethyl 2,4-difluoro-ζ-oxobenzeneheptanoate, identified by its CAS number 898753-10-1, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a heptanoate chain, indicating it has a seven-carbon backbone, and contains a benzene ring substituted with two fluorine atoms at the 2 and 4 positions, contributing to its unique chemical properties. The presence of fluorine atoms typically enhances the compound's lipophilicity and may influence its reactivity and stability. The oxo group (carbonyl) in the structure suggests potential for further chemical transformations, making it a candidate for various applications in organic synthesis and medicinal chemistry. Additionally, the ethyl group contributes to the overall hydrophobic character of the molecule. As with many fluorinated compounds, it may exhibit distinct biological activity, warranting further investigation into its potential uses in pharmaceuticals or agrochemicals. Safety and handling precautions should be observed due to the presence of fluorine and the complexity of the compound's structure.
Formula:C15H18F2O3
InChI:InChI=1S/C15H18F2O3/c1-2-20-15(19)7-5-3-4-6-14(18)12-9-8-11(16)10-13(12)17/h8-10H,2-7H2,1H3
InChI key:InChIKey=TUEOAXMWXHFWIN-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=C(F)C=C(F)C=C1
Synonyms:
  • Ethyl 2,4-difluoro-ζ-oxobenzeneheptanoate
  • Benzeneheptanoic acid, 2,4-difluoro-ζ-oxo-, ethyl ester
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