Asymmetric Hydrogenation Reaction Design Service

Asymmetric hydrogenation is the process in which asymmetric substrates are reacted with hydrogen gas to create substrates with a significant enantiomeric excess. Such a reaction bears a striking benefit as it allows the compounds to be created in an enantiomeric excess with a greater percentage. It does so cleanly, ensuring less waste is produced while adhering to green chemistry principles. Given its precision and controls, it is chiefly employed in pharmaceuticals, agrochemicals, fine chemicals, and materials.

Fig. 1 Illustrates (a) representative chiral α-substituted propionic acid molecules and (b) their synthesis via transition metal-catalyzed asymmetric hydrogenation of α-substituted acrylic acids. Fig.1 (a) Representative molecules bearing chiral α-substituted propionic acid scaffolds. (b) Transition metal-catalyzed asymmetric hydrogenation of α-substituted acrylic acids. (Li, et al., 2024)

Our Asymmetric Hydrogenation Reaction Design Service

To design an effective asymmetric hydrogenation reaction, one must derive a methodology that ensures all parameters including accuracy, efficiency, and sustainability are taken into consideration. Each of these factors plays a vital role in the success of the overall reaction; thus, their integration is necessary for academic or industrial use.

Careful Consideration of Several Factors

Catalyst Selection

Metal centers: Typically, these would be rhodium, ruthenium, nickel, and iridium installed on a transition metal substrate.
Chiral ligands: Those ligands that encase the metal center and introduce asymmetry are such as BINAP, QuinoxP, or BenzP for instance.

Substrate Scope

As starting reagents for asymmetric hydrogenation, substituted olefins, ketones, and enamides are reasonable.
Substrates with slight modification in steric and electronic effects are bound to work both efficiently and tolerantly.

Reaction Conditions

Temperature and pressure: To improve reaction rates and selectivity appropriate conditions should be used (which for example means that an H₂ reaction can be done at 30-60 bar pressure and somewhat elevated temperatures).
Solvents: One of the solvents that are at the center of contention is polar solvents, in particular trifluoroethanol (TFE), because of their ability to serve as intermediate stabilizers.

Mechanistic Insights

The rate-limiting step can be proton transfer which is the coordination of substrates to the metal center or it is possible to optimize proton transfer at some drastic points.

At CD BioSciences-GreenChemistry, we provide an asymmetric hydrogenation service that is rooted in our extensive experience with catalysts and sustainability. Modern tools (such as NMR, FT-IR, and mass spectrometry) and high-throughput screening systems, along with sophisticated modeling, enable us to develop accurate and scalable solutions that meet the requirements of your project.

From our library of catalysts and chiral ligands, we choose and test combinations with the highest predicted enantioselectivity and operational stability, which supports automated HTS and mechanistic modeling.

To attain the best outcome, we arrange the hydrogen pressure, temperature, choice of solvents, and the quantity of the catalyst while increasing the selectivity and reducing waste and energy consumption.

Project Assessment

Catalyst and Ligand Selection

Analysis

Optimization

Experimental Validation

The first step is to determine the scale and scope of the reaction and evaluate the substrate characteristics to confirm compatibility with the catalyst and process design.
We can identify the most appropriate transition metals, catalysts, and chiral ligands for the substrates, using our sophisticated analytical suite.
To verify the designed reaction, lab-scale trials are performed using state-of-the-art tools to monitor the process.

Applications

Encouragement of new asymmetric hydrogenation techniques development.
Facilitating the optimization and scaling of processes in the pharmaceutical industry.
The possibility of the reduction of chemical wash and energy levels in the synthetic processes.

Why Choose Us?

Broad Knowledge of Catalytic Systems with a full grasp of the tools and mechanisms of reactions.
We practice environmental safety with the utmost priority by minimizing chemical waste.
Custom-defined and tailored methods for different substrates and target molecules.

CD BioSciences-GreenChemistry is the firm for your asymmetric hydrogenation requirements. Our experience in transitioning from synthesizing complex pharmaceuticals, fine chemicals, and advanced materials ensures maximal efficiency, selectivity, and the highest level of environmental consciousness. Let Us Help You achieve your goals with precision, scalability, and green chemistry innovation.

Reference

Li, B.; et al. Nickel-catalyzed asymmetric hydrogenation for the preparation of α-substituted propionic acids. Nature Communications. 2024, 15(1): 5482.

Our products and services are for research use only and cannot be used for any clinical purposes.