50439-12-8

Usage

Derivative of

Benzoic acid

Functional Groups

Trifluoromethyl group ( \textCF3 ) attached to the β-carbon
Carboxylic acid group ( -\textCOOH ) attached to the benzoic ring

Synthetic Utility

Building Block: Utilized in the synthesis of other organic compounds
Applications: Predominantly in medicinal chemistry and pharmaceutical research

Potential Uses

Medicinal Chemistry: Potential for the development of new drugs

Handling Precautions

Caution Required: Due to potential reactivity and toxicity

Safety and Handling Requirements

Specific safety protocols may be necessary during handling and storage.

InChI:InChI=1/C16H11F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h1-8H,9H2,(H,21,22)

Relevant academic research and scientific papers

Reactions of carbonyl compounds in basic solutions. Part 21. The mechanisms of the alkaline hydrolysis of substituted methyl 2-(2-oxopropyl)- and 2-(2-oxo-2-phenylethyl)-benzoates and 2-(2-acetylphenyl)- and 2-(2-benzoylphenyl)-acetates

Rate coefficients have been measured for the alkaline hydrolysis of methyl 2-[2-oxo-2-(3- or 4-substituted phenyl)ethyl]benzoates, 2-[2-(3- or 4-substituted benzoyl)phenyl]acetates,2-(2-oxopropyl) and 2-(1,1-dimethyl-2- oxopropyl)benzoates, 2-(2-acetylphenyl)acetate and 2-(2-acetylphenyl)-2,2- dimethylacetates in 70% (v/v) dioxane-water at 30.0 °C. Those for the six parent esters were also measured at 45.0 and 60.0 °C and the enthalpies and entropies of activation have been evaluated. The relative rates of hydrolysis, activation parameters and substituent effects have been used to demonstrate neighbouring participation by the keto-carbonyl groups in the alkaline hydrolysis of the esters under study. For comparable systems, participation by six-membered ring intermediates appears somewhat less advantageous than five-membered.