CAS 898777-75-8

Ethyl δ-oxo-3-(trifluoromethyl)benzenepentanoate

Description:

Ethyl δ-oxo-3-(trifluoromethyl)benzenepentanoate is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone (δ-oxo) group, and a trifluoromethyl group attached to a benzene ring. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and biological activity. The ethyl ester component suggests that the compound may be involved in various chemical reactions, such as esterification or hydrolysis. Additionally, the compound's structure indicates potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Its CAS number, 898777-75-8, allows for precise identification in chemical databases, facilitating research and development. As with many fluorinated compounds, safety and handling considerations are essential due to the potential for environmental persistence and bioaccumulation. Overall, Ethyl δ-oxo-3-(trifluoromethyl)benzenepentanoate exemplifies the diverse functionalities that can be achieved through careful molecular design.

Formula: C₁₄H₁₅F₃O₃

InChI: InChI=1S/C14H15F3O3/c1-2-20-13(19)8-4-7-12(18)10-5-3-6-11(9-10)14(15,16)17/h3,5-6,9H,2,4,7-8H2,1H3

InChI key: InChIKey=VHEJHSFDYVEWJV-UHFFFAOYSA-N

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

Synonyms:

• Ethyl δ-oxo-3-(trifluoromethyl)benzenepentanoate
• Benzenepentanoic acid, δ-oxo-3-(trifluoromethyl)-, ethyl ester