Amide Bond Formation via Lewis Acid Catalysis

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Solution Overview

Problem

Current methods for peptide synthesis, particularly amidation reactions, face challenges in achieving high stereoselectivity and efficiency due to the lack of effective catalysts, leading to inefficient production of amide compounds with significant by-product formation and high purification costs.

Innovation Solution

A method involving the use of a Lewis acid catalyst and a silylating agent to form an amide bond between a carboxyl group and an amino group, allowing for the production of amide compounds with high stereoselectivity and efficiency, applicable to both amino acids and peptides.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If conventional amidation methods are used, then amide bonds can be formed, but stereoselectivity is poor and racemization occurs quickly

Engineering Contradiction:
ImprovestereoselectivityVSAvoidracemization control
Core Design Contradiction:
Manufacturing precisionVSReliability

Solution Approach 1:

The invention changes the chemical parameters of the reaction system by introducing a specific catalyst system (metal complex with fluorinated ligand) and controlling reaction conditions (temperature, solvent, stoichiometry) to achieve high stereoselectivity while preventing racemization, transforming the reaction pathway from conventional non-selective amidation to highly selective catalytic amidation

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention introduces a metal complex catalyst as an intermediary substance that mediates the amidation reaction between carboxylic acid and amine. The catalyst (comprising a metal center and fluorinated ligand) facilitates the reaction with high stereoselectivity, acting as a bridge that enables controlled bond formation without direct racemization of the amino acid substrate

Inventive Principle:
Principle #24Intermediary (Mediator)

2Productivity

If equivalent reagents are used to form amide bonds, then amide compounds can be synthesized, but by-products are formed and atom economy is poor

Engineering Contradiction:
Improvesynthesis efficiencyVSAvoidby-product formation
Core Design Contradiction:
ProductivityVSLoss of substance

Solution Approach 1:

The invention replaces the conventional chemical activation method (which requires coupling reagents and produces by-products) with a catalytic mechanism using metal complexes. This substitution transforms the reaction from a stoichiometric process requiring equivalent reagents to a catalytic process with minimal by-product formation, improving atom economy

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The invention changes the reaction parameters by using a catalyst system that enables direct amidation without requiring equivalent coupling reagents. The metal complex catalyst allows the reaction to proceed with high efficiency and selectivity, reducing waste and improving productivity

Inventive Principle:
Principle #35Parameter changes

3Manufacturing precision

If enzyme reactions are used for amidation, then high stereoselectivity is achieved, but production cost and time are enormous

Engineering Contradiction:
ImprovestereoselectivityVSAvoidproduction cost
Core Design Contradiction:
Manufacturing precisionVSEase of manufacture

Solution Approach 1:

The invention creates a synthetic chemical system that copies the stereoselective function of enzyme reactions. The metal complex catalyst mimics the chiral environment and selectivity of natural enzymes, achieving comparable stereoselectivity through synthetic chemistry rather than biological systems, thereby reducing cost and time

Inventive Principle:
Principle #26Copying

Solution Approach 2:

The invention substitutes enzyme-catalyzed reactions (biological system) with metal complex-catalyzed reactions (synthetic chemical system). This replacement maintains high stereoselectivity while eliminating the limitations of enzyme reactions, including high cost, long reaction times, and complexity of mass production

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

4Productivity

If conventional amidation methods are used for peptide ligation, then amide bonds can be formed, but the process is time-consuming and costly

Engineering Contradiction:
Improveligation efficiencyVSAvoidreaction time
Core Design Contradiction:
ProductivityVSLoss of time

Solution Approach 1:

The invention changes the reaction parameters by introducing a highly active metal complex catalyst that enables rapid amidation at mild temperatures. This allows peptide ligation to proceed efficiently in shorter times with higher yields, improving productivity and reducing the time cost of chemical ligation

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention introduces a metal complex catalyst as an intermediary that mediates the peptide ligation reaction. The catalyst facilitates the formation of amide bonds between peptide fragments with high efficiency and selectivity, enabling practical application in peptide synthesis and ligation

Inventive Principle:
Principle #24Intermediary (Mediator)

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

This method enables the highly stereoselective and efficient production of amide compounds, facilitating the linkage of additional amino acids or peptides, thereby reducing by-product formation and purification costs.

Implementation Method 1

forming an amide bond between a carboxyl group and an amino group in the presence of a Lewis acid catalyst

Methodology Applied
Scientific EffectLewis acid catalysis: Catalysis

Implementation Method 2

forming an amide bond between a carboxyl group and an amino group in the presence of a silylating agent

Methodology Applied
Scientific EffectSilylation: Chemical Bonding

Data Source

PatentEP3786151B1Method for producing amide compound
Publication Date: 2023.06.07 CHUBU UNIVERSITY EDUCATIONAL FOUNDATION
  • EP3786151B1 patent drawingFigure 1-1
  • EP3786151B1 patent drawingFigure 1-2
  • EP3786151B1 patent drawingFigure 2-1

AI summary

Provided is a novel method whereby an amide compound can be produced by highly stereoselectively and efficiently performing amidation between a plurality of amino acids and/or peptides. A compound of general formula (3) is synthesized by forming an amide bond between the carboxyl group on the right side of general formula (1) in a compound represented thereby and the amino group on the left side of general formula (2) in a compound represented thereby, in the presence of a Lewis acid catalyst and a silylating agent [in formulae (1), (2) and (3), each symbol has the same meaning as defined in claims