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CAS 898777-67-8

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Ethyl γ-oxo-2-(trifluoromethyl)benzenebutanoate

Description:
Ethyl γ-oxo-2-(trifluoromethyl)benzenebutanoate, with the CAS number 898777-67-8, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone, and a trifluoromethyl substituent on a benzene ring. This compound typically exhibits a moderate to high polarity due to the presence of the ester and ketone groups, which can influence its solubility in various solvents. The trifluoromethyl group contributes to its unique electronic properties, often enhancing reactivity and stability in certain chemical reactions. Ethyl γ-oxo-2-(trifluoromethyl)benzenebutanoate may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential as an intermediate in various chemical syntheses. Its physical properties, such as boiling point and melting point, would depend on the specific molecular interactions and the overall molecular weight. Safety data should be consulted for handling and usage, as compounds with trifluoromethyl groups can exhibit distinct toxicological profiles.
Formula:C13H13F3O3
InChI:InChI=1S/C13H13F3O3/c1-2-19-12(18)8-7-11(17)9-5-3-4-6-10(9)13(14,15)16/h3-6H,2,7-8H2,1H3
InChI key:InChIKey=AMTGGHVEXWIYMJ-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)(=O)C1=C(C(F)(F)F)C=CC=C1
Synonyms:
  • Benzenebutanoic acid, γ-oxo-2-(trifluoromethyl)-, ethyl ester
  • Ethyl γ-oxo-2-(trifluoromethyl)benzenebutanoate
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