CAS 898777-69-0

Ethyl δ-oxo-2-(trifluoromethyl)benzenepentanoate

Description:

Ethyl δ-oxo-2-(trifluoromethyl)benzenepentanoate, identified by its CAS number 898777-69-0, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone (δ-oxo) group, and a trifluoromethyl substituent on a benzene ring. This compound typically exhibits properties associated with both esters and aromatic compounds, such as moderate volatility and solubility in organic solvents. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its reactivity and biological activity. Ethyl δ-oxo-2-(trifluoromethyl)benzenepentanoate may be utilized in various chemical syntheses and research applications, particularly in the development of pharmaceuticals or agrochemicals. Its unique structural features can lead to interesting interactions in biological systems, making it a subject of interest in medicinal chemistry. As with many fluorinated compounds, it may also exhibit distinct environmental and toxicological profiles, necessitating careful handling and assessment in laboratory settings.

Formula: C₁₄H₁₅F₃O₃

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

InChI key: InChIKey=LQKOJVYUCCNKRI-UHFFFAOYSA-N

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

Synonyms:

• Ethyl δ-oxo-2-(trifluoromethyl)benzenepentanoate
• Benzenepentanoic acid, δ-oxo-2-(trifluoromethyl)-, ethyl ester