A Theoretical Study on the Reaction Mechanisms and Stereoselectivities of NHC-Catalyzed [2 + 2] Cycloaddition of Ketene with C=N Double Bond of Isothiocyanate

A Theoretical Study on the Reaction Mechanisms and Stereoselectivities of NHC-Catalyzed [2 + 2] Cycloaddition of Ketene with C=N Double Bond of Isothiocyanate

Year:    2016

Communications in Computational Chemistry, Vol. 4 (2016), Iss. 2 : pp. 36–47

Abstract

You do not have full access to this article.

Already a Subscriber? Sign in as an individual or via your institution

Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicc.2016.v4.n2.1

Communications in Computational Chemistry, Vol. 4 (2016), Iss. 2 : pp. 36–47

Published online:    2016-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    12

Keywords:    DFT NHC [2 + 2] Cycloaddition Stereoselectivity.

  1. A DFT Study of N-Heterocyclic Carbene Catalyzed [4+2] Annulation between Saturated Carboxylate withortho-Quinone Methide: Possible Mechanisms and Origin of Enantioselectivity

    Wang, Wei | Wei, Donghui

    ChemistrySelect, Vol. 2 (2017), Iss. 28 P.8856

    https://doi.org/10.1002/slct.201701679 [Citations: 12]
  2. Chiral phosphoric acid (CPA)-catalyzed transformation reaction of ketene: Competing mechanisms and origin of regio- and stereoselectivities

    Zhang, Han | Zhao, Keyuan | Wei, Donghui | Chen, Xuebo

    Molecular Catalysis, Vol. 560 (2024), Iss. P.114150

    https://doi.org/10.1016/j.mcat.2024.114150 [Citations: 1]
  3. Recent Advances on Computational Investigations of N‐Heterocyclic Carbene Catalyzed Cycloaddition/Annulation Reactions: Mechanism and Origin of Selectivities

    Wang, Yang | Wei, Donghui | Zhang, Wenjing

    ChemCatChem, Vol. 10 (2018), Iss. 2 P.338

    https://doi.org/10.1002/cctc.201701119 [Citations: 113]
  4. A DFT Study on Mechanisms and Origin of Selectivity of Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates

    Wang, Wei | Wang, Yang | Zheng, Linjie | Qiao, Yan | Wei, Donghui

    ChemistrySelect, Vol. 2 (2017), Iss. 19 P.5266

    https://doi.org/10.1002/slct.201700996 [Citations: 19]