CAS 898765-13-4
:3-(2,2-dimethylbutanoyl)benzonitrile
Description:
3-(2,2-Dimethylbutanoyl)benzonitrile is an organic compound characterized by its unique structure, which includes a benzonitrile moiety and a 2,2-dimethylbutanoyl group. This compound features a benzene ring attached to a nitrile group (–C≡N), which contributes to its chemical reactivity and potential applications in organic synthesis. The presence of the 2,2-dimethylbutanoyl group introduces steric hindrance, influencing the compound's physical properties, such as boiling point and solubility. Typically, compounds of this nature may exhibit moderate to high lipophilicity, making them soluble in organic solvents but less so in water. The nitrile functional group can participate in various chemical reactions, including nucleophilic additions and hydrolysis, making this compound potentially useful in the synthesis of pharmaceuticals or agrochemicals. Additionally, the compound's stability and reactivity can be affected by the surrounding functional groups and the overall molecular structure. As with many organic compounds, safety precautions should be observed when handling, as it may pose health risks if ingested or inhaled.
Formula:C13H15NO
InChI:InChI=1/C13H15NO/c1-4-13(2,3)12(15)11-7-5-6-10(8-11)9-14/h5-8H,4H2,1-3H3
SMILES:CCC(C)(C)C(=O)c1cccc(c1)C#N
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