Zhang Yu, Yu Yueyang, Ma Xiaoqiang, Zhao Xiaofei, Huang Jialin, Zhao Depeng
State Key Laboratory of Anti-infective Drug Discovery and Development, School of Pharmaceutical Sciences, Sun Yat-sen University Guangzhou 510006 China
RSC Adv. 2024 Aug 14;14(35):25663-25668. doi: 10.1039/d4ra04703f. eCollection 2024 Aug 12.
We show the synthesis and conformational studies of a series of 7,7-disubstituted-dibenzo[,]oxepin-6(7)-ones that feature biaryl-bridged seven-membered lactones with a quaternary carbon center, in which the larger substituents prefer the axial positions. Further studies on the crystal structures and DFT calculations revealed that the high selectivity observed is attributed to the volume of substituents.
我们展示了一系列7,7-二取代-二苯并[,]氧杂环庚三烯-6(7)-酮的合成及构象研究,这些化合物具有带有季碳中心的联芳基桥连七元内酯,其中较大的取代基更倾向于占据轴向位置。对晶体结构的进一步研究和密度泛函理论(DFT)计算表明,观察到的高选择性归因于取代基的体积。