Data Documentation for: Chemo- and regioselective synthesis of 3,4-dihydro-pyrimidin-4-ones from 4,5-dihydro-1,2,4-oxadiazoles and chromium alkoxy alkynyl Fischer carbene complexes

A completely chemo- and regioselective synthesis of pyrimidin-4(3H)-ones by reaction between 4,5-dihydro-1,2,4-oxadiazoles and chromium alkoxy alkynyl Fischer carbene complexes is reported. Overall, it is a formal (3+3)-cycloaddition where 4,5-dihydro-1,2,4-oxadiazoles partake for the first time in...

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Detalles Bibliográficos
Autores: Sánchez Alonso, Sergio, Menéndez Rodríguez, María Isabel|||0000-0002-5062-4319, Merino Natal, María Isabel|||0000-0002-0063-720X, Aguilar Huergo, Enrique|||0000-0002-1186-0079
Tipo de recurso: conjunto de datos
Fecha de publicación:2025
País:España
Institución:Universidad de Oviedo (UNIOVI)
Repositorio:RUO. Repositorio Institucional de la Universidad de Oviedo
Idioma:inglés
OAI Identifier:oai:digibuo.uniovi.es:10651/80685
Acceso en línea:https://hdl.handle.net/10651/80685
https://dx.doi.org/10.17811/ruo_datasets.80685
Access Level:acceso abierto
Palabra clave:Fischer carbene complexes, pyrimidones, cycloaddition, DFT calculations, oxadiazoles
Descripción
Sumario:A completely chemo- and regioselective synthesis of pyrimidin-4(3H)-ones by reaction between 4,5-dihydro-1,2,4-oxadiazoles and chromium alkoxy alkynyl Fischer carbene complexes is reported. Overall, it is a formal (3+3)-cycloaddition where 4,5-dihydro-1,2,4-oxadiazoles partake for the first time in the intermolecular formation of 6-membered heterocycles. Three points of diversity have been explored, and usually, synthetically useful isolated yields are reached, including one example at gram-scale. A reasonable mechanism, supported by DFT calculations, is proposed.