Mechanism and reactivity in the Morita–Baylis–Hillman reaction: the challenge of accurate computations-Reference-Cited by-同舟云学术

Mechanism and reactivity in the Morita–Baylis–Hillman reaction: the challenge of accurate computations

Published:2017 Issue:45 Volume:19 Page:30647-30657
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Zhen¹²³⁴⁵,Patel Chandan¹⁶⁷⁸,Harvey Jeremy N.¹²³⁴^ORCID,Sunoj Raghavan B.¹⁶⁷⁸^ORCID

Affiliation:

1. Department of Chemistry

2. KU Leuven

3. Leuven

4. Belgium

5. State Key Laboratory of Chemical Engineering

6. Indian Institute of Technology Bombay

7. Mumbai

8. India

Abstract

A systematic density functional theory exploration of various reactive steps together with benchmark coupled cluster results are used to propose an accurate model of the mechanism of the Morita–Baylis–Hillman (MBH) reaction in organic chemistry.

Funder

Onderzoeksraad, KU Leuven

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP06508F

Reference81 articles.

1. The Baylis–Hillman reaction: a novel source of attraction, opportunities, and challenges in synthetic chemistry

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3. A Tertiary Phosphine-catalyzed Reaction of Acrylic Compounds with Aldehydes

4. Synthetic potential of the tertiary-amine-catalysed reaction of activated vinyl carbanions with aldehydes

5. The Baylis-Hillman reaction: A novel carbon-carbon bond forming reaction

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