The regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates is described, with DMAP giving preferential N-carboxylation and triazolinylidenes promoting selective C-carboxylation (both with up to >99 : 1 regioselectivity). An enantioselective O- to C-carboxyl variant using NHC catalysis is demonstrated (up to 92% ee), while mechanistic and DFT studies outline...
From July 7 to 11, 2008, the International Coastal Atlas Network (ICAN) held a workshop on “Federated Atlases: Building on the Interoperable Approach” at the headquarters of the European Environment Agency (EEA) in Copenhagen, Denmark. The workshop (aka “ICAN 3”) engaged 29 participants from 10 countries, representing 25 organizations and...
My work has focused on investigating synthetic organic reactions using applied computational methods. Non-covalent interactions are critical to catalysis, mechanism, and stereoselectivity, with the most prominent interaction for isothioureas being the S···O contact between the catalyst sulfur atom and the oxygen of the acyl group. A comprehensive joint experimental and...