Gold(I)-Catalyzed Chloroalkynylation of Alkynes via Chlorine Shift

该项目的目的是通过实验和量子化学计算的方法研究金(I)催化的氯乙炔分子间和分子内加成反应。在分子间的情况下，预计内部炔烃的1，2-氯炔基化反应通过1，3-氯转移进行。在分子内的情况下，1，4-氯的移动应该导致氯乙炔的1，2-加成，伴随着亲核剂的加成。这两个反应都是合成复杂分子的新的碳-碳键形成程序，即起始材料的卤素原子不会被丢弃，而是保留在产品中。这样做的好处是，产品中的活性卤化物可用于进一步的化学转化。

The aim of the project is the investigation of the gold(I)-catalyzed inter- and intramolecular addition of chloroacetylenes to internal alkynes by means of experiments and quantum chemical calculations. In the intermolecular case a 1,2-chloroalkynylation of the internal alkynes is expected, which proceeds via a 1,3-chlorine shift. In the intramolecular case a 1,4-chlorine shift should lead to the 1,2-addition of chloroacetylenes accompanied by the addition of a nucleophile. Both reactions are new carbon-carbon bond forming procedures for the synthesis of complex molecules, whereby the halogen atoms of the starting material are not discarded, but remain in the product. This has the advantage that the reactive halide in the product can be used for further chemical transformations.