CAS 132630-88-7

Ethyl 2,4,5-trifluoro-3,6-dimethyl-β-oxobenzenepropanoate

Description:

Ethyl 2,4,5-trifluoro-3,6-dimethyl-β-oxobenzenepropanoate, with the CAS number 132630-88-7, is a synthetic organic compound characterized by its complex structure, which includes a benzene ring substituted with trifluoromethyl and methyl groups, as well as an ester functional group. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. It exhibits moderate polarity due to the presence of the ester group, which can influence its solubility in various organic solvents. The trifluoromethyl groups contribute to its unique chemical reactivity and stability, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the presence of multiple functional groups suggests potential for diverse reactivity, including nucleophilic substitutions and condensation reactions. Safety data should be consulted for handling, as fluorinated compounds can exhibit specific toxicological profiles. Overall, this compound represents a valuable entity in the field of synthetic organic chemistry.

Formula: C₁₃H₁₃F₃O₃

InChI: InChI=1S/C13H13F3O3/c1-4-19-9(18)5-8(17)10-6(2)12(15)13(16)7(3)11(10)14/h4-5H2,1-3H3

InChI key: InChIKey=AMKRBZMXAAUSMY-UHFFFAOYSA-N

SMILES: C(CC(OCC)=O)(=O)C1=C(C)C(F)=C(F)C(C)=C1F

Synonyms:

• Ethyl 2,4,5-trifluoro-3,6-dimethylbenzoylacetate
• Ethyl 2,4,5-trifluoro-3,6-dimethyl-β-oxobenzenepropanoate
• Benzenepropanoic acid, 2,4,5-trifluoro-3,6-dimethyl-β-oxo-, ethyl ester