C–H Activation/Functionalization Catalyzed by Simple, Well-Defined Low-Valent Cobalt Complexes

A facile
C–H activation and functionalization of aromatic
imines is presented using low-valent cobalt catalysts. Using Co­(PMe3)4 as catalyst we have developed an efficient and
simple protocol for the C–H/hydroarylation of alkynes with
an anti selectivity. Deuterium-labeling experiments,
DFT calculations coupled with the use of a well-defined catalyst have
for the first time shed light on the elusive black box of cobalt catalyzed
C–H functionalization.

本文报道了一种采用低价钴催化剂催化芳香亚胺进行简便C-H活化与官能化的方法。以Co(PMe₃)₄作为催化剂，我们开发了一种高效简洁的方案，用于实现芳香亚胺与炔烃的C-H氢芳基化反应，该反应展现出反式选择性。通过氘标记实验、密度泛函理论（DFT）计算，并结合使用结构明确的催化剂，我们首次阐明了钴催化C-H官能化这一长期以来难以捉摸的黑箱机制。