CAS 190771-22-3: 3-[(TRIMETHYLSILYL)ETHYNYL]BENZONITRILE

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3-[(Trimethylsilyl)ethynyl]benzonitrile

3-[(Trimethylsilyl)ethynyl]benzonitrile is an iodobenzene that has been studied computationally for its oxidative reactions. The rates of the reactions are dependent on the substituents and electronic effects, such as the electron-withdrawing effect of the trimethylsilyl group. 3-[(Trimethylsilyl)ethynyl]benzonitrile undergoes a coupling reaction with oxygen to form a dioxetane intermediate. This intermediate then reacts with another molecule of oxygen to form a peroxide intermediate, which then reacts with water to produce hydroxide ions and hydrogen peroxide. The rate constants for these reactions have been determined experimentally and found to be in good agreement with the values predicted by computational simulations.