CAS 898777-81-6

Ethyl δ-oxo-4-(trifluoromethyl)benzenepentanoate

Description:

Ethyl δ-oxo-4-(trifluoromethyl)benzenepentanoate, with the CAS number 898777-81-6, 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 often enhances the lipophilicity and biological activity of the molecule, making it of interest in pharmaceutical and agrochemical applications. Additionally, the compound may display unique reactivity due to the electron-withdrawing nature of the trifluoromethyl group, influencing its chemical behavior in various reactions. Its synthesis and applications may be relevant in fields such as medicinal chemistry, where modifications to aromatic compounds can lead to the development of new therapeutic agents. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.

Formula: C₁₄H₁₅F₃O₃

InChI: InChI=1S/C14H15F3O3/c1-2-20-13(19)5-3-4-12(18)10-6-8-11(9-7-10)14(15,16)17/h6-9H,2-5H2,1H3

InChI key: InChIKey=LADJNFYCKXDRPS-UHFFFAOYSA-N

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

Synonyms:

• Ethyl δ-oxo-4-(trifluoromethyl)benzenepentanoate
• Benzenepentanoic acid, δ-oxo-4-(trifluoromethyl)-, ethyl ester