CAS 118642-72-1

2-BENZYL-4,4,4-TRIFLUORO-3-OXOBUTYRIC ACID ETHYL ESTER

Description:

2-Benzyl-4,4,4-trifluoro-3-oxobutyric acid ethyl ester is an organic compound characterized by its unique structure, which includes a trifluoromethyl group and an ester functional group. This compound features a benzyl group, contributing to its aromatic properties, and a keto group, which enhances its reactivity. The presence of trifluoromethyl groups typically imparts increased lipophilicity and can influence the compound's biological activity. As an ethyl ester, it is likely to exhibit moderate volatility and solubility in organic solvents, making it useful in various chemical applications, including synthesis and as an intermediate in pharmaceutical development. The trifluoromethyl group can also enhance the compound's stability and resistance to metabolic degradation. Overall, 2-benzyl-4,4,4-trifluoro-3-oxobutyric acid ethyl ester is a compound of interest in medicinal chemistry and materials science due to its distinctive chemical properties and potential applications.

Formula: C₁₃H₁₃F₃O₃

InChI: InChI=1/C13H13F3O3/c1-2-19-12(18)10(11(17)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

SMILES: CCOC(=O)C(Cc1ccccc1)C(=O)C(F)(F)F

Synonyms:

• Benzenepropanoic Acid, Α-(2,2,2-Trifluoroacetyl)-, Ethyl Ester
• Ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate