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CAS 70988-04-4

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3,5-Dimethoxy-β-oxobenzenepropanenitrile

Description:
3,5-Dimethoxy-β-oxobenzenepropanenitrile, with the CAS number 70988-04-4, is an organic compound characterized by its complex structure, which includes a benzene ring substituted with two methoxy groups and a propanenitrile moiety. The presence of the methoxy groups contributes to its electron-donating properties, potentially influencing its reactivity and solubility in various solvents. The β-oxoketone functional group indicates that the compound may exhibit keto-enol tautomerism, which can affect its chemical behavior and stability. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential biological activity. Its nitrile group can also participate in nucleophilic addition reactions, making it a versatile intermediate in organic synthesis. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks or environmental hazards. Further studies would be necessary to fully elucidate its properties and potential applications.
Formula:C11H11NO3
InChI:InChI=1S/C11H11NO3/c1-14-9-5-8(11(13)3-4-12)6-10(7-9)15-2/h5-7H,3H2,1-2H3
InChI key:InChIKey=LKMXJVUYRSDTPZ-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=CC(OC)=CC(OC)=C1
Synonyms:
  • 3,5-Dimethoxy-β-oxobenzenepropanenitrile
  • 3,5-Dimethoxybenzoylacetonitrile
  • Benzenepropanenitrile, 3,5-Dimethoxy-Β-Oxo-
  • 3-(3,5-Dimethoxyphenyl)-3-oxopropanenitrile
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