Maqueda-Zelaya Francisco, Aceña José Luis, Merino Estíbaliz, Vaquero Juan J, Sucunza David
Departamento de Química Orgánica y Química Inorgánica, Instituto de Investigación Química "Andrés M. del Río" (IQAR), Universidad de Alcalá, IRYCIS, 28805, Alcalá deHenares, Madrid, Spain.
J Org Chem. 2023 Oct 6;88(19):14131-14139. doi: 10.1021/acs.joc.3c01675. Epub 2023 Sep 18.
An efficient methodology to form 4-alkoxy- and 4-aryloxybenzo[][1,2,3]triazines via an intramolecular heterocyclization of 1-azido-2-[isocyano(-tosyl)methyl]benzenes under basic conditions has been developed. DFT calculations have been performed to further understand the mechanism of this heterocyclization, which occurs in good to excellent yields with a broad scope.
已经开发出一种有效的方法,通过在碱性条件下1-叠氮基-2-[异氰基(-对甲苯磺酰基)甲基]苯的分子内杂环化反应来形成4-烷氧基和4-芳氧基苯并[][1,2,3]三嗪。进行了密度泛函理论(DFT)计算以进一步了解这种杂环化反应的机理,该反应以良好至优异的产率发生,且适用范围广泛。