Synthesis of Simple C2-Symmetric Chiral Bis(oxazoline)palladium(II) Complexes and Their Visualization of Reactivity

摘要

In recent years, chiral bis(oxazoline) and related ligands have been frequently used in Pd(II)-catalyzed oxidative, asymmetric reactions. However, to our knowledge, there has been no systematic study on the structural characteristics of simple C2-symmetric bis(oxazoline) palladium(II) complexes such as 1 and 2. In the present study, we have aimed to clarify their coordinative environments by the aid of computational visualization. Although Denmark et al. have studied the reactivity of chiral bis(oxazoline) ligands in Pd(II)-catalyzed cyclopropanation of alkene, their concerns have been mainly limited to the substituents effect on the methylene bis(oxazoline) ligands like 2. In such a context, we report here the validity of a computational analysis for the reactivity of complexes 1 and 2.