Deprotonation-controlled copper-free Pd-catalyzed Sonogashira coupling versus the Kumada–Tamao–Corriu reaction: a DFT investigation toward anticancer carborane alkynes | Synapse
April 23, 2026Open Access
Deprotonation-controlled copper-free Pd-catalyzed Sonogashira coupling versus the Kumada–Tamao–Corriu reaction: a DFT investigation toward anticancer carborane alkynes
Key Points
The aim is to compare the Sonogashira coupling and Kumada–Tamao–Corriu reactions for synthesizing anticancer carborane alkynes.
Utilized density functional theory (DFT) for computational analysis
Compared two different reaction mechanisms: Sonogashira coupling and Kumada–Tamao–Corriu
Identified significant differences in efficiency between the two reactions.
Showed potential advantages for the Sonogashira reaction in synthesizing carborane derivatives.
Abstract
Carborane derivatives have emerged as valuable hydrophobic pharmacophores in medicinal chemistry owing to their unique electronic characteristics and rigid three-dimensional architectures.