A new systematization of the conformational behavior of seven-membered rings. Isoclinal anomeric and related orientations
A new systematization of the conformational behavior of seven-membered rings. Isoclinal anomeric and related orientations
复制标题
DOI：
10.1021/jo951950j
复制
发表时间：
1997-01-24
影响因子：
3.6
通讯作者：
Espinosa, A
中科院分区：
文献类型：
--
作者：
Entrena, A;Campos, J;Espinosa, A
七元环的椅子构象和扭椅构象被归类为其内环扭角符号的函数。作为模式的甲氧基和甲氧基环己烷1-6的构象分析(MM3)允许研究和分类七元饱和杂环中不同类型的氢取向。建立了一般原理，允许预测作为取代基类型、其在环中的位置和被取代的氢原子类型的函数的不同扭曲椅构象的稳定性。将这些结果推广到1，4-二氧环烷衍生物7-13，并与实验数据进行了比较。
The chair and twist-chair conformations of seven-membered rings are classified as a function of the signs of their endocyclic torsion angles. The conformational analysis (MM3) of the methoxy- and methyloxepanes 1-6 used as patterns allows the study and classification of the different types of hydrogen orientation in the seven-membered saturated heterocycles. General principles are established, allowing the prediction of the stability of the different twist-chair conformations as a function of the substituent type, its position in the ring, and the type of hydrogen atom that has been substituted. These results are extended to the 1,4-dioxepane derivatives 7-13 and are compared with experimental data.