CAS 898777-06-5

Ethyl 3-bromo-5-methyl-δ-oxobenzenepentanoate

Description:

Ethyl 3-bromo-5-methyl-δ-oxobenzenepentanoate, with the CAS number 898777-06-5, is an organic compound characterized by its complex structure, which includes a benzene ring substituted with a bromine atom and a methyl group, as well as an ester functional group. This compound features a pentanoate chain, indicating the presence of a five-carbon alkyl chain attached to the ester. The "δ-oxobenzene" portion suggests the presence of a ketone functional group adjacent to the benzene ring, contributing to its reactivity and potential applications in organic synthesis. Ethyl esters are generally known for their pleasant odors and are often used in flavoring and fragrance industries. The presence of bromine in the structure may enhance its reactivity, making it a useful intermediate in various chemical reactions, including nucleophilic substitutions. Overall, this compound's unique combination of functional groups and structural features makes it of interest in both synthetic organic chemistry and potential pharmaceutical applications.

Formula: C₁₄H₁₇BrO₃

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

InChI key: InChIKey=ALFLFHQQSHWPDN-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanoic acid, 3-bromo-5-methyl-δ-oxo-, ethyl ester
• Ethyl 3-bromo-5-methyl-δ-oxobenzenepentanoate