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CAS 914636-80-9

:

β-Oxo-2-(trifluoromethoxy)benzenepropanenitrile

Description:
β-Oxo-2-(trifluoromethoxy)benzenepropanenitrile, identified by its CAS number 914636-80-9, is a chemical compound characterized by its unique functional groups and structural features. It contains a benzene ring substituted with a trifluoromethoxy group and a propanenitrile moiety, which contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the trifluoromethoxy group enhances the compound's lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The nitrile functional group can participate in various chemical reactions, including nucleophilic additions and cycloadditions, providing versatility in synthetic pathways. Additionally, the compound's β-oxo structure suggests potential for tautomerization, which can affect its stability and reactivity. Overall, β-Oxo-2-(trifluoromethoxy)benzenepropanenitrile is a compound with intriguing properties that may be explored for various applications in chemical research and development.
Formula:C10H6F3NO2
InChI:InChI=1S/C10H6F3NO2/c11-10(12,13)16-9-4-2-1-3-7(9)8(15)5-6-14/h1-4H,5H2
InChI key:InChIKey=OQOKGOUOTDCESI-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=C(OC(F)(F)F)C=CC=C1
Synonyms:
  • Benzenepropanenitrile, β-oxo-2-(trifluoromethoxy)-
  • β-Oxo-2-(trifluoromethoxy)benzenepropanenitrile
  • 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile
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