A Computational Investigation of the Ligand-Controlled Cu-Catalyzed Site-Selective Propargylation and Allenylation of Carbonyl Compounds
| Autor: | Nitinchandra D. Patel, Marisa C. Kozlowski, Osvaldo Gutierrez, Chris H. Senanayake, Carl A. Busacca, Keith R. Fandrick, C. Avery Sader, Daniel R. Fandrick, Yike Zou |
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| Rok vydání: | 2017 |
| Předmět: |
Letter
Molecular Structure 010405 organic chemistry Ligand Chemistry Site selectivity Organic Chemistry Ketones Ligands 010402 general chemistry 01 natural sciences Biochemistry Combinatorial chemistry Catalysis 0104 chemical sciences Alkadienes Site selective Organic chemistry Physical and Theoretical Chemistry Copper |
| Zdroj: | Organic Letters |
| ISSN: | 1523-7052 1523-7060 |
| Popis: | A copper-catalyzed site-selective propargylation/allenylation reaction toward carbonyl compounds has been mechanistically investigated using a computational approach. Different reaction pathways and catalytic cycles were investigated. Control of the site selectivity arises from a destabilizing interaction introduced by the phenyl-substituted ligand. |
| Databáze: | OpenAIRE |
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