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CAS 898751-18-3

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Ethyl 2-bromo-γ-oxobenzenebutanoate

Description:
Ethyl 2-bromo-γ-oxobenzenebutanoate is an organic compound characterized by its unique structure, which includes a bromine atom, an ester functional group, and a ketone moiety. This compound features a benzene ring that is substituted with a bromo group and an oxo group, contributing to its reactivity and potential applications in organic synthesis. The presence of the ethyl ester indicates that it can undergo hydrolysis to form the corresponding acid, which may be useful in various chemical reactions. The compound's molecular structure suggests it may exhibit moderate polarity due to the presence of both the ester and ketone functionalities. Additionally, the bromine atom can serve as a leaving group in nucleophilic substitution reactions, making it a valuable intermediate in the synthesis of more complex molecules. Its specific properties, such as solubility and boiling point, would depend on the surrounding conditions and the presence of other functional groups. Overall, Ethyl 2-bromo-γ-oxobenzenebutanoate is a versatile compound with potential applications in medicinal chemistry and materials science.
Formula:C12H13BrO3
InChI:InChI=1S/C12H13BrO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChI key:InChIKey=QPQCNUNUTZSKDE-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=C(Br)C=CC=C1
Synonyms:
  • Ethyl 2-bromo-γ-oxobenzenebutanoate
  • Benzenebutanoic acid, 2-bromo-γ-oxo-, ethyl ester
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