CAS 898792-71-7

Ethyl 3-bromo-ζ-oxobenzeneheptanoate

Description:

Ethyl 3-bromo-ζ-oxobenzeneheptanoate is a chemical compound characterized by its ester functional group, which is derived from the reaction of an alcohol (ethyl alcohol) and a carboxylic acid. The presence of a bromine atom at the 3-position of the aromatic ring indicates that it may exhibit unique reactivity and properties, such as increased electrophilicity. The "ζ-oxobenzene" portion suggests the presence of a ketone functional group adjacent to the aromatic system, which can influence the compound's reactivity and stability. The heptanoate chain indicates a seven-carbon aliphatic chain, contributing to the compound's hydrophobic characteristics. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential biological activity and the ability to undergo further chemical transformations. Its specific physical properties, such as boiling point, melting point, and solubility, would need to be determined experimentally or sourced from chemical databases for practical applications.

Formula: C₁₅H₁₉BrO₃

InChI: InChI=1S/C15H19BrO3/c1-2-19-15(18)10-5-3-4-9-14(17)12-7-6-8-13(16)11-12/h6-8,11H,2-5,9-10H2,1H3

InChI key: InChIKey=QZERDSNBNVRDRH-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanoic acid, 3-bromo-ζ-oxo-, ethyl ester
• Ethyl 3-bromo-ζ-oxobenzeneheptanoate