CAS 951886-19-4

Ethyl 2-chloro-4-fluoro-γ-oxobenzenebutanoate

Description:

Ethyl 2-chloro-4-fluoro-γ-oxobenzenebutanoate, with the CAS number 951886-19-4, is a chemical compound that belongs to the class of esters. It features a benzene ring substituted with both a chlorine and a fluorine atom, contributing to its unique reactivity and potential applications in organic synthesis. The presence of the γ-oxobutanoate moiety indicates that it contains a ketone functional group, which can participate in various chemical reactions, such as nucleophilic additions and condensation reactions. This compound is likely to exhibit moderate to high polarity due to the electronegative halogen substituents, influencing its solubility in polar solvents. Additionally, the ester functional group suggests that it may undergo hydrolysis in the presence of water or basic conditions, releasing the corresponding alcohol and acid. Its specific properties, such as boiling point, melting point, and reactivity, would depend on the molecular structure and the arrangement of substituents, making it a subject of interest in medicinal chemistry and material science for potential therapeutic applications or as an intermediate in synthetic pathways.

Formula: C₁₂H₁₂ClFO₃

InChI: InChI=1S/C12H12ClFO3/c1-2-17-12(16)6-5-11(15)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6H2,1H3

InChI key: InChIKey=QPBLTAKBFOBUNM-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=C(Cl)C=C(F)C=C1

Synonyms:

• Ethyl 2-chloro-4-fluoro-γ-oxobenzenebutanoate
• Benzenebutanoic acid, 2-chloro-4-fluoro-γ-oxo-, ethyl ester