DFT calculations have been combined with experiments to study the mechanism of γ-C
(sp3)–H arylation of aliphatic amines promoted by palladium–glyoxylic acid cooperative …

The Pd (II)/sulfoxide-2-hydroxypyridine catalytic system shows promising activity in C–H
activation chemistry. In this study, we showcase how this catalytic system solves the problem …

Density functional theory (DFT) calculations were conducted to elucidate the mechanism of
a novel Pd (II) catalyzed C (sp3)–H activation and the subsequent arylation reactions of …

Nitrogen-containing compounds are the most common structural architectures in drug
candidates, natural and biological products, and small-molecule therapeutics. Within the …

C− H Functionalization of amines is a prominent challenge due to the strong complexation of
amines to transition metal catalysts, and therefore typically requires derivatization at nitrogen …

A transient directing group (DG) has been successfully applied to assist the activation of C–
H bonds. In this paper, we have performed density functional theory (DFT) calculations to …

Density functional theory computations have elucidated the detailed mechanism and
intriguing selectivities of C (sp3)–H activation and arylation of aldehydes and ketones …

Abstract Many Pd-catalyzed C–H functionalization reactions utilize stoichiometric Ag (I)-salts
as additives. Ag additives are typically used either as a terminal oxidant or as a halide …

Over the years, silver salts have become an integral part of palladium-catalyzed C–H
functionalization. Although most of the research works highlight the role of Ag (I) complexes …

Directed palladium-catalyzed coupling of remote C (sp3)–H bonds of aliphatic amines with
organohalides is a powerful synthetic tool. However, these reactions still possess limitations …