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CAS 898787-06-9

:

2,3-Dimethyl-β-oxobenzenepropanenitrile

Description:
2,3-Dimethyl-β-oxobenzenepropanenitrile, identified by its CAS number 898787-06-9, is an organic compound characterized by its complex structure, which includes a nitrile functional group and a ketone moiety. This compound features a benzene ring substituted with two methyl groups at the 2 and 3 positions, contributing to its hydrophobic characteristics. The presence of the β-oxoketone structure enhances its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions and condensation reactions. The nitrile group imparts additional polarity, which can influence its solubility in polar solvents. Typically, compounds like this may exhibit interesting biological activities, making them of interest in medicinal chemistry and drug development. Its synthesis and applications may involve multi-step organic reactions, and it may serve as an intermediate in the production of more complex molecules. As with many organic compounds, safety data sheets should be consulted for handling and storage guidelines, as well as potential hazards associated with its use.
Formula:C11H11NO
InChI:InChI=1S/C11H11NO/c1-8-4-3-5-10(9(8)2)11(13)6-7-12/h3-5H,6H2,1-2H3
InChI key:InChIKey=AQALXBVPNRKQCI-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=C(C)C(C)=CC=C1
Synonyms:
  • 2,3-Dimethyl-β-oxobenzenepropanenitrile
  • 3-(2,3-Dimethylphenyl)-3-oxopropanenitrile
  • Benzenepropanenitrile, 2,3-Dimethyl-Β-Oxo-
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