CAS 898753-68-9

Ethyl 3,4,5-trifluoro-α,α-dimethyl-γ-oxobenzenebutanoate

Description:

Ethyl 3,4,5-trifluoro-α,α-dimethyl-γ-oxobenzenebutanoate is a synthetic organic compound characterized by its complex structure, which includes a benzenebutanoate backbone with trifluoromethyl groups and a γ-oxobutanoate moiety. The presence of three fluorine atoms on the aromatic ring significantly influences its chemical properties, enhancing its lipophilicity and potentially altering its reactivity compared to non-fluorinated analogs. The ethyl ester functional group contributes to its solubility in organic solvents and may affect its biological activity. This compound may exhibit interesting pharmacological properties due to the trifluoromethyl groups, which are known to enhance metabolic stability and bioactivity in drug design. Additionally, the presence of the dimethyl substituents can influence steric hindrance and electronic distribution within the molecule. Overall, this compound's unique characteristics make it a subject of interest in medicinal chemistry and materials science, although specific applications would depend on further research and exploration of its properties.

Formula: C₁₄H₁₅F₃O₃

InChI: InChI=1S/C14H15F3O3/c1-4-20-13(19)14(2,3)7-11(18)8-5-9(15)12(17)10(16)6-8/h5-6H,4,7H2,1-3H3

InChI key: InChIKey=MIIOPCZWZNPLOO-UHFFFAOYSA-N

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

Synonyms:

• Benzenebutanoic acid, 3,4,5-trifluoro-α,α-dimethyl-γ-oxo-, ethyl ester
• Ethyl 3,4,5-trifluoro-α,α-dimethyl-γ-oxobenzenebutanoate

ethyl 2,2-dimethyl-4-oxo-4-(3,4,5-trifluorophenyl)butyrate

CAS: 898753-68-9

Formula: C₁₄H₁₅F₃O₃

Purity: 97.0%

Molecular weight: 288.266

Ref: 10-F207828