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CAS 112704-80-0

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Ethyl 4-bromo-2-fluoro-β-oxobenzenepropanoate

Description:
Ethyl 4-bromo-2-fluoro-β-oxobenzenepropanoate, with the CAS number 112704-80-0, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a benzene ring substituted with both a bromine and a fluorine atom, contributing to its unique reactivity and potential applications in various chemical syntheses. The presence of the β-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, which can enhance its electrophilic character. Ethyl esters typically exhibit moderate volatility and solubility in organic solvents, making them useful in organic synthesis and as intermediates in the production of pharmaceuticals and agrochemicals. The specific halogen substitutions may also influence the compound's biological activity and interaction with other chemical species. Overall, this compound's structural features suggest potential utility in medicinal chemistry and materials science, although detailed studies would be necessary to fully elucidate its properties and applications.
Formula:C11H10BrFO3
InChI:InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChI key:InChIKey=GVLMOVPIFSXARB-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(=O)C1=C(F)C=C(Br)C=C1
Synonyms:
  • 3-(4-Bromo-2-fluorophenyl)-3-oxopropanoic acid ethyl ester
  • Ethyl 4-bromo-2-fluoro-β-oxobenzenepropanoate
  • Benzenepropanoic acid, 4-bromo-2-fluoro-β-oxo-, ethyl ester
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