Abstract
A new guanidine-thiourea organocatalyst has been developed and applied as bifunctional organocatalyst in the Michael addition reaction of diethyl malonate to trans-β-nitrostyrene. Extensive DFT calculations, including solvent effects and dispersion corrections, as well as ab initio calculations provide a plausible description of the reaction mechanism.
Original language | English |
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Pages (from-to) | 1485-1498 |
Number of pages | 14 |
Journal | Beilstein Journal of Organic Chemistry |
Volume | 8 |
DOIs | |
Publication status | Published - 2012 |