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

Journal article


Publication Details

Author(s): Shubina T, Freund M, Schenker S, Clark T, Tsogoeva S
Journal: Beilstein Journal of Organic Chemistry
Publisher: Beilstein-Institut
Publication year: 2012
Volume: 8
Pages range: 1485-1498
ISSN: 1860-5397


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.



FAU Authors / FAU Editors

Clark, Timothy apl. Prof. Dr.
Computer-Chemie-Centrum
Schenker, Sebastian Dr. rer. nat.
Naturwissenschaftliche Fakultät
Shubina, Tatyana Dr.
Interdisziplinäres Zentrum für Molekulare Materialien
Tsogoeva, Svetlana Prof. Dr.
Professur für Organische Chemie


How to cite

APA:
Shubina, T., Freund, M., Schenker, S., Clark, T., & Tsogoeva, S. (2012). Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity. Beilstein Journal of Organic Chemistry, 8, 1485-1498. https://dx.doi.org/10.3762/bjoc.8.168

MLA:
Shubina, Tatyana, et al. "Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity." Beilstein Journal of Organic Chemistry 8 (2012): 1485-1498.

BibTeX: 

Last updated on 2019-13-01 at 07:09