Synthesis of Substituted Azulenes via Pt(II)-Catalyzed Ring-Expanding Cycloisomerization

Substituted azulenes, valuable structures for electronic devices and pharmaceuticals, have been synthesized by the platinum­(II)-catalyzed intramolecular ring-expanding cycloisomerization of 1-en-3-yne with ortho-disubstituted benzene. This novel method provides an alternative route for the efficient synthesis of substituted azulenes. The reaction mechanism of selected catalytic transformations was explored using density functional calculations.取代薁类（azulenes）作为一类可应用于电子器件与医药领域的高价值结构，可通过铂(II)催化的1-烯-3-炔与邻二取代苯的分子内环扩张环异构化反应制备得到。该新颖合成方法为取代薁类的高效合成提供了一条备选路径。针对所选取的催化转化反应，研究人员通过密度泛函计算对其反应机制展开了探究。