CAS 898776-88-0

Ethyl 3-bromo-4-methyl-ζ-oxobenzeneheptanoate

Description:

Ethyl 3-bromo-4-methyl-ζ-oxobenzeneheptanoate, identified by its CAS number 898776-88-0, is a chemical compound that belongs to the class of esters. This substance features a benzene ring substituted with a bromine atom and a methyl group, contributing to its unique reactivity and properties. The presence of the ethyl ester functional group indicates that it can participate in various chemical reactions typical of esters, such as hydrolysis and transesterification. The compound's structure suggests it may exhibit moderate lipophilicity, making it potentially soluble in organic solvents while having limited solubility in water. Its molecular configuration may also influence its biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the bromine substituent can enhance the compound's reactivity, allowing for further functionalization. Overall, Ethyl 3-bromo-4-methyl-ζ-oxobenzeneheptanoate is a versatile compound with potential applications in synthetic organic chemistry and medicinal chemistry.

Formula: C₁₆H₂₁BrO₃

InChI: InChI=1S/C16H21BrO3/c1-3-20-16(19)8-6-4-5-7-15(18)13-10-9-12(2)14(17)11-13/h9-11H,3-8H2,1-2H3

InChI key: InChIKey=QEXXJTDLURGZDB-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanoic acid, 3-bromo-4-methyl-ζ-oxo-, ethyl ester
• Ethyl 3-bromo-4-methyl-ζ-oxobenzeneheptanoate

ethyl 7-(3-bromo-4-methylphenyl)-7-oxoheptanoate

CAS: 898776-88-0

Formula: C₁₆H₂₁BrO₃

Purity: 97.0%

Molecular weight: 341.245

Ref: 10-F207909