Hydroamination of unactivated olefins is a highly desirable synthetic method for the construction of amine-containing organic compounds. In this study, both computational and experimental tools were employed for the rational design of new hydroamination catalysts. The mechanism of the known reaction with phosphine-p-arene ligated rhodium catalysts was investigated computationally to provide a method for the screening of ligands in silico, and a series of ligands were synthesized based on tethered phosphine-p-arene ligands to establish trends on tether length and rigidity and the effects of electron-donating and electron-withdrawing substituents.

Rational design of new rhodium hydroamination catalysts

248th National Meeting (2014)

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