Mitigating Catalyst Leaching and Deactivation in Heterogeneous Hydrogen-Bonding/Tertiary Amine Chiral Organocatalysts

The heterogenisation of chiral organocatalysts remains a key strategy for developing sustainable and recyclable chemical processes. However, long-term stability is often compromised by catalyst leaching and deactivation. In this work, we present a combined computational and experimental study of the deactivation pathways in an ester-linked heterogeneous thiourea/tertiary amine organocatalyst. By identifying the fundamental causes of activity loss, we establish a rational design framework for developing a more robust, high-performance triazole-linked heterogeneous catalyst with extended lifetime and improved reusability.