CAS 942474-94-4

Methyl 3-bromo-β-oxobenzenebutanoate

Description:

Methyl 3-bromo-β-oxobenzenebutanoate is an organic compound characterized by its complex structure, which includes a bromine atom, a ketone functional group, and an ester moiety. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical transformations, including nucleophilic substitutions. The β-oxobenzenebutanoate structure suggests that it may exhibit both aromatic and aliphatic characteristics, contributing to its chemical behavior. This compound is likely to be soluble in organic solvents due to its ester functionality, while its reactivity can be influenced by the electron-withdrawing effects of the bromine atom. Additionally, the compound may participate in various synthetic applications, including the synthesis of more complex molecules in medicinal chemistry or materials science. Its specific properties, such as boiling point, melting point, and spectral characteristics, would need to be determined through experimental methods or detailed literature review, as they are not universally defined and can vary based on purity and environmental conditions.

Formula: C₁₁H₁₁BrO₃

InChI: InChI=1S/C11H11BrO3/c1-15-11(14)7-10(13)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3

InChI key: InChIKey=INLSGSQEXWWHGA-UHFFFAOYSA-N

SMILES: C(C(CC(OC)=O)=O)C1=CC(Br)=CC=C1

Synonyms:

• Methyl 3-bromo-β-oxobenzenebutanoate
• Methyl 4-(3-bromophenyl)-3-oxobutanoate
• Benzenebutanoic acid, 3-bromo-β-oxo-, methyl ester