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Aromatic C−H Activation and Catalytic Hydrophenylation of Ethylene by TpRu{P(OCH2)3CEt}(NCMe)Ph

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journal contribution
posted on 14.07.2008, 00:00 by Nicholas A. Foley, Zhuofeng Ke, T. Brent Gunnoe, Thomas R. Cundari, Jeffrey L. Petersen
The complexes TpRu{P(OCH2)3CEt}(L)R {L = PPh3 or NCMe; R = Cl, OTf (OTf = trifluoromethanesulfonate), or Ph; Tp = hydridotris(pyrazolyl)borate} and TpRu{P(OCH2)3CEt}(η3-C3H4Me) were synthesized and isolated. TpRu{P(OCH2)3CEt}(NCMe)Ph was found to initiate C−H activation of benzene and to catalyze the hydrophenylation of ethylene to produce ethylbenzene. Ethylene C−H activation to ultimately produce TpRu{P(OCH2)3CEt}(η3-C3H4Me) kinetically competes with the catalytic hydrophenylation of ethylene. Computational studies were undertaken on reactions in the proposed catalytic ethylene hydrophenylation cycle as well as key side reactions.