Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity
説明
<jats:p>A new guanidine-thiourea organocatalyst has been developed and applied as bifunctional organocatalyst in the Michael addition reaction of diethyl malonate to <jats:italic>trans</jats:italic>-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.</jats:p>
収録刊行物
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- Beilstein Journal of Organic Chemistry
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Beilstein Journal of Organic Chemistry 8 1485-1498, 2012-09-07
Beilstein Institut
