CAS 898776-84-6

Ethyl 3-bromo-4-methyl-δ-oxobenzenepentanoate

Description:

Ethyl 3-bromo-4-methyl-δ-oxobenzenepentanoate is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a bromine atom, and a ketone group within a benzene ring. The presence of the bromine substituent at the 3-position and a methyl group at the 4-position of the aromatic ring contributes to its reactivity and potential applications in organic synthesis. The δ-oxobenzenepentanoate structure indicates that it contains a five-carbon chain with a ketone functional group, which can influence its physical properties, such as solubility and boiling point. This compound may exhibit biological activity, making it of interest in medicinal chemistry. Its synthesis typically involves multi-step reactions, including bromination and esterification. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards. Overall, Ethyl 3-bromo-4-methyl-δ-oxobenzenepentanoate represents a versatile building block in the field of organic chemistry.

Formula: C₁₄H₁₇BrO₃

InChI: InChI=1S/C14H17BrO3/c1-3-18-14(17)6-4-5-13(16)11-8-7-10(2)12(15)9-11/h7-9H,3-6H2,1-2H3

InChI key: InChIKey=JWQPFMNJFIOLLM-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanoic acid, 3-bromo-4-methyl-δ-oxo-, ethyl ester
• Ethyl 3-bromo-4-methyl-δ-oxobenzenepentanoate