Computational design and development of new functional ate complexes and its practical applications to organic transformations

我们开发了具有高官能团耐受性的新锌酸盐试剂。设计了一种以异丙基配体和镁盐为抗衡阳离子的锌酸盐配合物（（iPr）nZn）（MgCl）<n-2>。高度官能化的芳香族碘化物与锌酸盐的反应导致具有优异的反应性和高配体选择性的卤素-金属互变。我们还开发了一种新的有机硅锌酸盐配合物。该试剂被发现是有用的新的甲硅烷基金属化反应。在光谱技术和理论计算的基础上，对这些化学反应的机理进行了全面的分析。我们开发的化学反应将为制备有机分子提供一种新的合成方法，用于材料科学，生物技术和有机合成等各个领域。

We have developed new zincate reagents with high functional group tolerance. A novel zincate complex consisting of isopropyl ligands and magnesium salt as a counter cation ((iPr)_nZn)(MgCl)_<n-2>) was designed. Reactions of highly functionalized aromatic iodides with the zincate resulted in halogen-metal interconversion with excellent reactivity and high ligand selectivity. We have also developed a new organosilyl zincate complex. The reagents were found to be useful for novel silyl-metalation reactions. The mechanism of these chemical reactions was fully analyzed on the basis of spectroscopic techniques and theoretical calculations. The chemical reactions we developed would offer a new synthetic approach for preparing organic molecules for applications in various fields such as material sciences, biotechnology, and organic syntheses.