Indolizine Synthesis through Annulation of Pyridinium 1,4-Thiolates and Copper Carbenes: A Predictive Catalysis Approach
Predictive catalysis was applied to the reaction of pyridinium 1,4-zwitterionic thiolates with a copper carbene. Theoretical calculations were first performed to determine the suitability of their annulation reaction and to make predictions about the performance of different copper salts, diazo spec...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/22997 |
| Acceso en línea: | http://hdl.handle.net/10256/22997 |
| Access Level: | acceso abierto |
| Palabra clave: | Catàlisi Catalysis Compostos heterocíclics -- Síntesi Heterocyclic compounds -- Synthesis |
| Sumario: | Predictive catalysis was applied to the reaction of pyridinium 1,4-zwitterionic thiolates with a copper carbene. Theoretical calculations were first performed to determine the suitability of their annulation reaction and to make predictions about the performance of different copper salts, diazo species, and pyridinium derivatives. With calculations in hand, the experimental conditions were optimized, the scope of the reaction was assessed, and the precision of the predictions was evaluated. Yields up to 90% were obtained for the synthesis of indolizine scaffolds in the reactivity of pyridinium 1,4-zwitterionic thiolates with a metal carbene |
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