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Synthesis of Iron Hydride Complexes Relevant to Hydrogen Isotope Exchange in Pharmaceuticals

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journal contribution
posted on 10.07.2017, 18:52 by Renyuan Pony Yu, Jonathan M. Darmon, Scott P. Semproni, Zoë R. Turner, Paul J. Chirik
Addition of H2 gas to the bis­(arylimidazolin-2-ylidene)­pyridine iron bis­(dinitrogen) complex (H4-iPrCNC)­Fe­(N2)2 resulted in facile oxidative addition of the H–H bond to yield a mixture of (H4-iPrCNC)­FeH4 and trans-(H4-iPrCNC)­FeH2(N2), depending on the partial pressures of H2 and N2. Both iron hydride complexes were characterized by X-ray diffraction and proved relevant to the catalytic hydrogen isotope exchange of arene C­(sp2)–H bonds. Activation of the benzene-d6 solvent at ambient temperature produced deuterated isotologues of both compounds that exhibit large isotopic perturbation of resonances in the hydride signals.