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

Shubina T, Freund M, Schenker S, Clark T, Tsogoeva S (2012)

Publication Type: Journal article

Publication year: 2012

Journal

Beilstein Journal of Organic Chemistry Beilstein-Institut

Original Authors: Shubina TE, Freund M, Schenker S, Clark T, Tsogoeva SB

Publisher: Beilstein-Institut

Book Volume: 8

Pages Range: 1485-1498

DOI: 10.3762/bjoc.8.168

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.

Authors with CRIS profile

Tatyana Shubina Interdisziplinäres Zentrum für Molekulare Materialien Sebastian Schenker Naturwissenschaftliche Fakultät Timothy Clark Computer-Chemie-Centrum Svetlana Tsogoeva 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.

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