CAS 898777-71-4

ethyl 7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoate

Description:

Ethyl 7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoate, identified by its CAS number 898777-71-4, is an organic compound characterized by its ester functional group and a complex structure featuring a heptanoate backbone. The presence of a trifluoromethyl group on the phenyl ring significantly influences its chemical properties, enhancing lipophilicity and potentially affecting its reactivity and biological activity. This compound is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions. Its ketone functional group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions. Ethyl esters are generally known for their pleasant odors and are often used in flavor and fragrance applications. Additionally, the trifluoromethyl group can impart unique electronic properties, making this compound of interest in medicinal chemistry and materials science. Overall, ethyl 7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoate exhibits characteristics typical of complex organic molecules, with potential applications in various fields.

Formula: C₁₆H₁₉F₃O₃

InChI: InChI=1/C16H19F3O3/c1-2-22-15(21)11-5-3-4-10-14(20)12-8-6-7-9-13(12)16(17,18)19/h6-9H,2-5,10-11H2,1H3

SMILES: CCOC(=O)CCCCCC(=O)c1ccccc1C(F)(F)F

Synonyms:

• ETHYL 7-OXO-7-(2-TRIFLUOROMETHYLPHENYL)HEPTANOATE
• Benzeneheptanoic acid, ζ-oxo-2-(trifluoromethyl)-, ethyl ester