Solubilizing Catalysts in Surfactant-Water Mixtures

Resolve Bottlenecks,
Find Innovative SolutionsGenerate Solutions

Solution Overview

Problem

Current chemical reaction systems using surfactant solvents face limitations in productivity and selectivity, particularly in the pharmaceutical industry where solubility issues with target compounds lead to reliance on undesirable solvents like DMF or NMP, and there is a need to reduce unwanted side products.

Innovation Solution

Incorporating catalysts with solubilizing groups such as C5-50 alkyl or poly(ethylene glycol) groups into surfactant-water mixtures enhances the solubilization of reaction partners, improving the yield and selectivity of chemical reactions, applicable to various reactions including cross-coupling and amidation processes.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Quantity of substance

If traditional polar aprotic solvents (DMF, NMP) are used to improve solubility of reaction components, then solubility increases, but harmful effects (reprotoxicity, environmental damage) worsen

Engineering Contradiction:

Improvesolubility of reaction componentsVSAvoidreprotoxicity and environmental harm

Core Design Contradiction:

Quantity of substanceVSObject-affected harmful factors

Solution Approach 1:

The invention changes the chemical composition parameters of the reaction medium by replacing traditional polar aprotic solvents with surfactant-water mixtures. Specifically, it uses surfactants containing polyethylene glycol groups to create a new solvent system that achieves comparable or superior solubility for organic compounds while eliminating the toxicological problems of DMF and NMP.

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The invention introduces surfactants as intermediary substances that mediate between water (environmentally benign) and organic reaction components. The surfactant molecules, with their amphiphilic structure containing polyethylene glycol groups, act as intermediaries that solubilize organic compounds in aqueous media, thereby replacing harmful solvents without compromising solubility.

Inventive Principle:

Principle #24Intermediary (Mediator)

2Object-affected harmful factors

If surfactant-water mixtures are used to replace harmful solvents, then harmful effects are reduced, but productivity and selectivity of chemical reactions worsen

Engineering Contradiction:

Improveenvironmental and health safetyVSAvoidreaction productivity and selectivity

Core Design Contradiction:

Object-affected harmful factorsVSProductivity

Solution Approach 1:

The invention optimizes parameters of the surfactant structure, specifically the length and composition of polyethylene glycol chains, to enhance reaction productivity and selectivity. By adjusting the molecular weight and degree of polymerization of the PEG groups in the surfactant, the invention achieves optimal solubility and catalytic performance, thereby improving reaction efficiency in the green solvent system.

Inventive Principle:

Principle #35Parameter changes

3Productivity

If solubilizing groups are attached to catalyst compounds to enhance solubilization, then solubility and productivity improve, but catalyst complexity increases

Engineering Contradiction:

Improvereaction productivity and yieldVSAvoidcatalyst molecular structure

Core Design Contradiction:

ProductivityVSDevice complexity

Solution Approach 1:

The invention merges the catalyst function with the solubilizing function by attaching polyethylene glycol groups directly to the catalyst molecule. This combination creates a single integrated compound that provides both catalytic activity and enhanced solubility in surfactant-water mixtures, eliminating the need for separate solubilizing agents and simplifying the overall reaction system.

Inventive Principle:

Principle #5Merging (Combining)

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 use of surfactant-water mixtures with solubilizing groups in catalysts significantly increases reaction yield and reduces side products, providing a more efficient and sustainable alternative to traditional solvents.

Implementation Method 1

solubilizating groups attached to the catalyst compounds greatly enhance solubilization of the reaction partners

Methodology Applied

Scientific EffectMicelle formation: Surfactant

Implementation Method 2

solubilizing group comprises a C5-50 alkyl group or a poly(alkylene glycol) group

Methodology Applied

Scientific EffectHydrophobic interaction: Hydrophobe

Data Source

PatentUS11235316B2Catalysts for chemical reactions in a water-surfactant mixture

Publication Date: 2022.02.01 NOVARTIS AG

AI summary

The present invention is directed to reaction mixtures comprising a water-surfactant mixture, wherein the catalyst comprises a compound with solubilizing groups. This technology improves the solubility of the reaction components in the water-surfactant mixture and thereby, greatly increases the productivity and selectivity of the chemical reaction.