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CAS 212755-77-6

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Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate

Description:
Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate, identified by its CAS number 212755-77-6, is an organic compound characterized by its complex structure that includes a trifluoromethyl group and an ester functional group. This compound typically appears as a colorless to pale yellow liquid and is known for its distinctive aromatic properties due to the presence of the benzene ring. The trifluoromethyl group contributes to its unique reactivity and potential applications in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals. The β-oxo group enhances its reactivity, making it a useful intermediate in organic synthesis. Additionally, this compound may exhibit moderate to low solubility in water, while being more soluble in organic solvents. Safety data indicates that, like many fluorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate is a valuable compound in synthetic organic chemistry, with applications that leverage its unique chemical properties.
Formula:C11H9F3O3
InChI:InChI=1S/C11H9F3O3/c1-17-10(16)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5H,6H2,1H3
InChI key:InChIKey=CPAGQMQGVDEFOB-UHFFFAOYSA-N
SMILES:C(CC(OC)=O)(=O)C1=C(C(F)(F)F)C=CC=C1
Synonyms:
  • Methyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
  • Methyl 2-[2-(trifluoromethyl)benzoyl]acetate
  • Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate
  • Benzenepropanoic acid, β-oxo-2-(trifluoromethyl)-, methyl ester
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