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CAS 93618-66-7

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Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate

Description:
Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate, with the CAS number 93618-66-7, is an organic compound characterized by its ester functional group and a trifluoromethyl-substituted aromatic ring. This compound features a propanoate backbone, which includes a ketone functional group adjacent to the ester, contributing to its reactivity and potential applications in organic synthesis. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and agrochemical research. Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its molecular structure allows for various chemical transformations, making it a versatile intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as compounds with trifluoromethyl groups can exhibit unique toxicological profiles.
Formula:C11H9F3O3
InChI:InChI=1/C11H9F3O3/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3
SMILES:COC(=O)CC(=O)c1cccc(c1)C(F)(F)F
Synonyms:
  • Benzenepropanoic acid, beta-oxo-3-(trifluoromethyl)-, methyl ester
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