Transition Metal Dimer Catalyst for Green Cross-Coupling

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Solution Overview

Problem

Existing palladium (II) complexes used for cross-coupling reactions often require complex preparation routes and may not be environmentally friendly, as they typically use non-green solvents.

Innovation Solution

Development of a compound of formula (I) [M2X6][HPR1R2R3]2, where M is Pd(II) or Ni(II), X is a halide, and R1, R2, R3 are organic groups, which can be prepared using a simpler route with greener solvents, and used as catalysts for carbon-carbon and carbon-heteroatom coupling reactions.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of manufacture

If traditional palladium (II) complexes are used for cross-coupling reactions, then catalytic activity is achieved, but preparation routes become complex and environmental friendliness deteriorates due to non-green solvents

Engineering Contradiction:

Improvepreparation route simplicityVSAvoidenvironmental impact

Core Design Contradiction:

Ease of manufactureVSObject-affected harmful factors

Solution Approach 1:

The patent changes the solvent parameter from traditional non-green solvents to green solvents (water, ethanol, isopropanol), fundamentally altering the environmental characteristics of the preparation process while maintaining catalyst synthesis effectiveness

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The patent employs readily available, inexpensive starting materials (H2PdCl4·2H2O and phosphine ligands) that can be easily procured and handled, simplifying the manufacturing process and reducing the need for specialized equipment or conditions

Inventive Principle:

Principle #27Cheap short-living objects (Disposable)

2Reliability

If traditional palladium (II) complexes are used, then cross-coupling reactions can be catalyzed, but preparation complexity increases

Engineering Contradiction:

Improvecatalytic performanceVSAvoidpreparation route complexity

Core Design Contradiction:

ReliabilityVSDevice complexity

Solution Approach 1:

The patent segments the preparation process into simple, sequential steps: dissolving H2PdCl4·2H2O in green solvent, adding phosphine ligand, stirring at room temperature, and filtering the precipitate. This segmentation eliminates complex multi-step procedures while ensuring reliable catalyst formation

Inventive Principle:

Principle #1Segmentation

Solution Approach 2:

The reaction system is designed to be self-assembling at room temperature in green solvents, where the palladium complex and phosphine ligand automatically form the active catalyst without requiring complex equipment, specialized conditions, or extensive procedural intervention

Inventive Principle:

Principle #25Self-service

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The new compound provides an efficient and environmentally friendly route for cross-coupling reactions, achieving high yields and stability as a catalyst, while reducing the environmental impact of the synthesis process.

Implementation Method 1

The invention further provides a process for carrying out a carbon-carbon coupling reaction in the presence of a catalyst, the process comprising the use of a compound of formula (I) as hereinbefore defined

Methodology Applied

Scientific EffectCatalysis: Catalysis

Data Source

PatentUS12240866B2Transition metal dimer complex as a catalyst

Publication Date: 2025.03.04 JOHNSON MATTHEY PLC

AI summary

A compound of formula (I) wherein M is Pd(II) or Ni(II); X is a halide; R1 and R2 are independently organic groups having 1-20 carbon atoms, or R1 and R2 are linked to form a ring structure with the phosphorus atom; R3 is an organic group having 1-20 carbon atoms; provided that R1, R2, R3 are not each phenyl.