2^nd Umicore Catalysis Symposium

Unconventional Site Selectivity in Cross-Couplings of Dihaloheteroarenes

Heteroarenes are ubiquitous motifs in high-value small molecules, but for many dihalogenated heteroarenes, methods do not exist to reliably achieve crosscoupling at the “less reactive” C—X bond. New catalyst-controlled strategies have been developed to accomplish this goal, together with mechanistic studies to explain the origin of the selectivity inversion.

Advancing Process Understanding: Kinetic Analysis of Complex Organic Transformations

Standardizing kinetic analysis has enabled efficient process optimization and characterization via improved mechanistic understanding. We have automated reaction monitoring and kinetic analysis through implementation of a templated approach based on Reaction Progress Kinetic Analysis (RPKA). This has allowed detailed mechanistic analysis for use in predictive kinetic modeling.

A New Framework for the Development and Optimization of Catalytic Asymmetric Transformations

Optimization of catalyst structure to simultaneously improve multiple reaction objectives (e.g., yield, enantioselectivity, and regioselectivity) remains a formidable challenge. Herein, we describe the development and application of a machine learning workflow for the multi-objective optimization of catalytic reactions that employ chiral bisphosphine ligands.

The Role of (Precious) Metal Catalysis in Sustainable Process Development

Though the first instinct of many process chemists is to optimize a catalytic step using the least expensive metal precatalyst and ligand, the most cost-effective solution may lie in a more active catalyst that enables lower metal loading, better 
selectivity, and simpler isolation steps. An improvement in turnover number can drive metal costs down by more than the additional manufacturing costs. A detailed, case-by-case analysis is needed to identify the best solution.

New Catalyst Development for Late-Stage Hydrogen Isotope Exchange of Pharmaceuticals

Radiolabeled compounds, typically those that contain 14C or 3H isotopes, are one of the most powerful and widely used diagnostic tools to support drug discovery and development. Most recently, we reported a new catalytic paradigm of combining an organophotoredox catalyst and Wilkinson’s catalyst to affect HIE of aliphatic C(sp3)–H bonds of pharmaceuticals, which demonstrates a practical and attractive labeling method for deuteration and tritiation.

Iridium catalyst with P,N ligand, for the application of asymmetric hydrogenation for Agro-products

There are manifold aspects in the development of asymmetric hydrogenation processes applied at industrial scale. However, using a high throughput screening approach and close collaboration between academia and industry partners, a new Ir-Crabtree/Pfaltz type catalyst with industry relevant performance has been designed and swiftly scaled.

Streamlining an API Route via the Development of Carbonylation, Hydrogenation and Heck Processes

Red-shifting Photoredox Catalysis

While blue and purple light is the most common and enabling of visible light irradiation, the use of these wavelengths has limitations with respect to substrate scope and material penetration. A suite of Os-based catalysts has been developed that undergo spin forbidden excitation directly to the triplet state in the deep red (DR) and near infrared (NIR) range, facilitating low energy excitation for photoredox catalysis.