Skeletal Copper Catalyst for 1,3-Butanediol Hydrogenation

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Solution Overview

Problem

The existing process for producing (R)-3-hydroxybutyl (R)-3-hydroxybutyrate uses sodium borohydride and other hydride transfer reagents, which are environmentally undesirable, and lacks effective catalysts and conditions for hydrogenation in the production of 1,3-butanediol, as described in WO 2014/140308.

Innovation Solution

A skeletal copper-based catalyst is used for hydrogenation to efficiently reduce the ester of poly-(R)-3-hydroxybutyrate to form (R)-1,3-butanediol, followed by transesterification with additional poly-(R)-3-hydroxybutyrate to produce (R)-3-hydroxybutyl (R)-3-hydroxybutyrate, offering a more effective and environmentally friendly method compared to using Raney nickel catalysts.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If sodium borohydride and hydride transfer reagents are used for reduction, then the reduction of poly-(R)-3-hydroxybutyrate ester to 1,3-butanediol can be achieved, but environmental harm increases due to undesirable reagent properties

Engineering Contradiction:
Improvereduction effectivenessVSAvoidenvironmental harm
Core Design Contradiction:
ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The invention changes the chemical nature of the reducing agent from hydride transfer reagents (sodium borohydride) to hydrogen gas, fundamentally altering the reaction parameters and eliminating environmental harm associated with the former while maintaining reduction effectiveness

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention converts the harmful environmental aspect of using sodium borohydride into a benefit by replacing it with hydrogen gas, which is environmentally benign and leaves no harmful residues, thus turning a harmful process into a green chemistry solution

Inventive Principle:
Principle #22Blessing in disguise (Convert harm into benefit)

2Reliability

If Raney nickel catalyst is used for hydrogenation, then hydrogenation reaction can proceed, but catalytic efficiency and selectivity are insufficient compared to skeletal copper-based catalysts

Engineering Contradiction:
Improvehydrogenation capabilityVSAvoidcatalytic efficiency
Core Design Contradiction:
ReliabilityVSProductivity

Solution Approach 1:

The invention changes the catalyst material from Raney nickel to skeletal copper-based catalyst, altering the catalytic properties to achieve higher efficiency and selectivity for the hydrogenation reaction while maintaining the hydrogenation capability

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The skeletal copper-based catalyst represents a composite material structure that combines copper with a skeletal support matrix, providing enhanced catalytic performance compared to traditional Raney nickel catalysts

Inventive Principle:
Principle #40Composite materials

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 skeletal copper-based catalyst significantly improves the production of 1,3-butanediol and (R)-3-hydroxybutyl (R)-3-hydroxybutyrate, achieving higher selectivity and efficiency while reducing environmental impact, as demonstrated by comparisons with Raney nickel catalysts in various reaction conditions.

Implementation Method 1

reducing the first portion of the poly-(R)-3-hydroxybutyrate ester through hydrogenation using a skeletal copper-based catalyst to form (R)-1,3-butanediol

Methodology Applied
Scientific EffectHydrogenation: Hydrogenation

Implementation Method 2

The skeletal copper-based catalyst significantly improves the production of 1,3-butanediol and (R)-3-hydroxybutyl (R)-3-hydroxybutyrate

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 3

contacting under transesterification conditions the (R)-1,3-butanediol from step ii) with the second portion of the transesterified ester to produce (R)-3-hydroxybutyl (R)-3-hydroxybutyrate

Methodology Applied
Scientific EffectTransesterification:

Data Source

PatentUS11078140B2Process for producing 1,3-butanediol and for optionally further producing (R)-3-hydroxybutyl (R)-3-hydroxybutyrate
Publication Date: 2021.08.03 ARCHER DANIELS MIDLAND CO

AI summary

A process is described for producing 1,3-butanediol, wherein an ester of poly-(R)-3-hydroxybutyrate such as formed by transesterification with an alcohol is reduced by hydrogenation in the presence of a skeletal copper-based catalyst to provide 1,3-butanediol. The 1,3-butanediol may be transesterified by reaction with additional poly-(R)-3-hydroxybutyrate ester to produce (R)-3-hydroxybutyl (R)-3-hydroxybutyrate.