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CAS 887267-61-0

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Ethyl α-bromo-β-oxo-4-(trifluoromethoxy)benzenepropanoate

Description:
Ethyl α-bromo-β-oxo-4-(trifluoromethoxy)benzenepropanoate is a synthetic organic compound characterized by its complex structure, which includes a bromine atom, a trifluoromethoxy group, and an ester functional group. This compound features a benzene ring substituted at the para position with a trifluoromethoxy group, enhancing its reactivity and potential applications in medicinal chemistry and material science. The presence of the α-bromo group suggests it may participate in nucleophilic substitution reactions, making it a useful intermediate in organic synthesis. The β-oxo moiety indicates the presence of a carbonyl group adjacent to the ester, which can engage in various chemical transformations, including enolate formation. The trifluoromethoxy group contributes to the compound's lipophilicity and may influence its biological activity. Overall, this compound's unique functional groups and structural features make it a valuable candidate for further research and development in various chemical applications.
Formula:C12H10BrF3O4
InChI:InChI=1S/C12H10BrF3O4/c1-2-19-11(18)9(13)10(17)7-3-5-8(6-4-7)20-12(14,15)16/h3-6,9H,2H2,1H3
InChI key:InChIKey=QEGXHSMWWKDYHD-UHFFFAOYSA-N
SMILES:C(C(C(OCC)=O)Br)(=O)C1=CC=C(OC(F)(F)F)C=C1
Synonyms:
  • Benzenepropanoic acid, α-bromo-β-oxo-4-(trifluoromethoxy)-, ethyl ester
  • Ethyl α-bromo-β-oxo-4-(trifluoromethoxy)benzenepropanoate
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