CAS 898776-82-4

Ethyl 3-bromo-4-methyl-γ-oxobenzenebutanoate

Description:

Ethyl 3-bromo-4-methyl-γ-oxobenzenebutanoate is an organic compound characterized by its complex structure, which includes a benzene ring substituted with a bromine atom and a methyl group, along with an ester functional group. The presence of the γ-oxobutanoate moiety indicates that it contains a ketone functional group adjacent to the ester, contributing to its reactivity and potential applications in organic synthesis. This compound is likely to exhibit moderate polarity due to the ester and ketone functionalities, influencing its solubility in various organic solvents. The bromine substituent can also enhance the compound's reactivity, making it a useful intermediate in synthetic chemistry, particularly in the formation of carbon-carbon bonds or in nucleophilic substitution reactions. Additionally, the presence of the ethyl group suggests that it may have a relatively low boiling point compared to larger or more complex molecules. Overall, Ethyl 3-bromo-4-methyl-γ-oxobenzenebutanoate is a versatile compound with potential applications in pharmaceuticals and agrochemicals.

Formula: C₁₃H₁₅BrO₃

InChI: InChI=1S/C13H15BrO3/c1-3-17-13(16)7-6-12(15)10-5-4-9(2)11(14)8-10/h4-5,8H,3,6-7H2,1-2H3

InChI key: InChIKey=DNLWCGMLWIKFIK-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=CC(Br)=C(C)C=C1

Synonyms:

• Ethyl 3-bromo-4-methyl-γ-oxobenzenebutanoate
• Benzenebutanoic acid, 3-bromo-4-methyl-γ-oxo-, ethyl ester