CAS 898753-65-6

Ethyl 3-fluoro-α,α-dimethyl-γ-oxobenzenebutanoate

Description:

Ethyl 3-fluoro-α,α-dimethyl-γ-oxobenzenebutanoate, identified by its CAS number 898753-65-6, is a chemical compound that belongs to the class of esters. It features a complex structure characterized by the presence of a fluorine atom, which can influence its reactivity and biological activity. The compound contains a benzenebutanoate backbone, indicating it has both aromatic and aliphatic characteristics. The presence of the ethyl group suggests it is a relatively low molecular weight compound, which may contribute to its volatility and solubility in organic solvents. The α,α-dimethyl substituents provide steric hindrance, potentially affecting its interactions with biological targets. Additionally, the γ-oxo group indicates the presence of a carbonyl functionality, which can participate in various chemical reactions, including nucleophilic attacks. Overall, this compound's unique structural features may confer specific properties that are of interest in medicinal chemistry and material science, although detailed studies would be necessary to fully understand its behavior and applications.

Formula: C₁₄H₁₇FO₃

InChI: InChI=1/C14H17FO3/c1-4-18-13(17)14(2,3)9-12(16)10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3

InChI key: InChIKey=KMLUPMFOKAHHJF-UHFFFAOYSA-N

SMILES: C(CC(C(OCC)=O)(C)C)(=O)C1=CC(F)=CC=C1

Synonyms:

• Ethyl 3-fluoro-α,α-dimethyl-γ-oxobenzenebutanoate
• Benzenebutanoic acid, 3-fluoro-α,α-dimethyl-γ-oxo-, ethyl ester
• ETHYL 2,2-DIMETHYL-4-(3-FLUOROPHENYL)-4-OXOBUTYRATE
• Ethyl 4-(3-fluorophenyl)-2,2-dimethyl-4-oxobutanoate