Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity

Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity

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 prov...

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Bibliographic Details
Main Authors: Tatyana E. Shubina, Matthias Freund, Sebastian Schenker, Timothy Clark, Svetlana B. Tsogoeva
Format: Article
Language:English
Published: Beilstein-Institut 2012-09-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
bifunctional organocatalyst
DFT calculations
guanidine-thiourea
Michael addition
organocatalysis
transition states
Online Access:https://doi.org/10.3762/bjoc.8.168

Internet

https://doi.org/10.3762/bjoc.8.168

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