CAS 898780-26-2
:3-[3-(3,5-dimethylphenyl)propanoyl]benzonitrile
Description:
3-[3-(3,5-Dimethylphenyl)propanoyl]benzonitrile, with the CAS number 898780-26-2, is an organic compound characterized by its complex structure that includes a benzonitrile moiety and a propanoyl group substituted with a 3,5-dimethylphenyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for pi-pi stacking interactions due to its conjugated system. It is likely to be a solid at room temperature, given the presence of multiple aromatic rings, which often contribute to higher melting points. The nitrile functional group (-C≡N) suggests that it may have polar characteristics, influencing its solubility in various solvents. Additionally, the presence of the dimethylphenyl group may impart unique electronic and steric properties, potentially affecting its reactivity and interactions in chemical processes. This compound may find applications in organic synthesis, pharmaceuticals, or as a building block in materials science, although specific applications would depend on further research and characterization.
Formula:C18H17NO
InChI:InChI=1/C18H17NO/c1-13-8-14(2)10-15(9-13)6-7-18(20)17-5-3-4-16(11-17)12-19/h3-5,8-11H,6-7H2,1-2H3
SMILES:Cc1cc(C)cc(CCC(=O)c2cccc(c2)C#N)c1
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