A molecular electron density theory study on the [3+2] cycloaddition reaction of thiocarbonyl ylides with hetaryl thioketones
Author:
Affiliation:
1. Faculty of Chemistry
2. North-Tehran Branch
3. Islamic Azad University
4. Tehran
5. Iran
6. Chemistry Department
7. Shahrood Branch
8. Shahrood
9. Science and Research Branch
Abstract
In situ generated TCY 2 is trapped with THK 3 over the course of a non-polar, entirely C1–C4 regioselective, pdr-type 32CA reaction passing through TS 1 in a non-concerted two-stage one-step molecular mechanism.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2018/NJ/C8NJ02021C
Reference61 articles.
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2. How the mechanism of a [3 + 2] cycloaddition reaction involving a stabilized N-lithiated azomethine ylide toward a π-deficient alkene is changed to stepwise by solvent polarity? What is the origin of its regio- and endo stereospecificity? A DFT study using NBO, QTAIM, and NCI analyses
3. [3+2] cycloaddition reaction between CF3-substituted thiocarbonyl ylides and thioketones: Exploration of regioselectivity and mechanistic aspects using Molecular Electron Density Theory
4. Asymmetric 1,3-Dipolar Cycloaddition Reactions
5. Understanding the mechanisms of [3+2] cycloaddition reactions. The pseudoradical versus the zwitterionic mechanism
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