CAS 898776-94-8

Ethyl 4-bromo-2-methyl-δ-oxobenzenepentanoate

Description:

Ethyl 4-bromo-2-methyl-δ-oxobenzenepentanoate 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 δ-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, 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 enhance the compound's reactivity, making it a useful intermediate in chemical synthesis, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the ethyl ester group may impart certain characteristics such as volatility and the ability to undergo hydrolysis. Overall, the unique combination of functional groups in Ethyl 4-bromo-2-methyl-δ-oxobenzenepentanoate makes it a compound of interest in both academic research and industrial applications.

Formula: C₁₄H₁₇BrO₃

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

InChI key: InChIKey=WLMXJJJOCIADOE-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-bromo-2-methyl-δ-oxobenzenepentanoate
• Benzenepentanoic acid, 4-bromo-2-methyl-δ-oxo-, ethyl ester