Pomikło Dominika, Bodzioch Agnieszka, Pietrzak Anna, Kaszyński Piotr
Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, 90-363 Łódź, Poland.
Department of Chemistry, Middle Tennessee State University, Murfreesboro, Tennessee 37132, United States.
Org Lett. 2019 Sep 6;21(17):6995-6999. doi: 10.1021/acs.orglett.9b02563. Epub 2019 Aug 22.
A series of 3-substituted 1-phenyl-1,4-dihydrobenzo[][1,2,4]triazin-4-yls was prepared by addition of PhLi to 3-substituted benzo[][1,2,4]triazines followed by aerial oxidation. The scope of the C(3) substituents in the reaction was investigated, and 10 structurally diverse radicals were isolated, their stability was assessed and properties were investigated with spectroscopic and electrochemical methods. Two radicals were analyzed with single-crystal XRD methods. Experimental data are compared to DFT results and correlated with Hammett substituent parameters.
通过将苯基锂加入到3-取代的苯并[][1,2,4]三嗪中，随后进行空气氧化，制备了一系列3-取代的1-苯基-1,4-二氢苯并[][1,2,4]三嗪-4-基化合物。研究了反应中C(3)取代基的范围，分离出10种结构不同的自由基，用光谱和电化学方法评估了它们的稳定性并研究了其性质。用单晶X射线衍射方法分析了两种自由基。将实验数据与密度泛函理论（DFT）结果进行比较，并与哈米特取代基参数相关联。
