Stable Pentafluorosulfonolate Salt Preparation Without Toxic Gas Handling

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Solution Overview

Problem

The synthesis of pentafluorosulfanolate salts is challenging due to the instability of the SF5O- anion and the need for specialized equipment and reactive gases, limiting its application in medicinal, agrochemical, and material science.

Innovation Solution

A simple and reproducible process to generate stable pentafluorosulfonolate salts using accessible reactants and aprotic solvents, avoiding the use of toxic gases and specialized equipment, by reacting SF5X with inorganic bases and organic cations at room temperature.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of manufacture

If the conventional method using gaseous thionyl tetrafluoride (SO2F4) and toxic gases is employed, then pentafluorosulfonolate salts can be synthesized, but the process requires specialized equipment and handles hazardous materials

Engineering Contradiction:
Improveaccessibility of starting materialsVSAvoidtoxicity and reactivity of gases
Core Design Contradiction:
Ease of manufactureVSObject-affected harmful factors

Solution Approach 1:

The patent replaces expensive, hazardous gaseous reagents with inexpensive, stable solid starting materials (SF5X compounds and inorganic bases) that can be handled in conventional laboratory settings without specialized equipment

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The invention changes the physical state parameters of the reactants from gaseous (toxic SO2F4) to solid/stable forms (SF5X compounds), fundamentally altering the handling requirements and safety profile while maintaining the synthetic utility

Inventive Principle:
Principle #35Parameter changes

2Ease of operation

If gaseous thionyl tetrafluoride is used as reagent, then the reaction can proceed, but specialized reactors and equipment are required

Engineering Contradiction:
Improvesimplicity of procedureVSAvoidspecialized equipment requirements
Core Design Contradiction:
Ease of operationVSDevice complexity

Solution Approach 1:

The patent eliminates the need for specialized gas-handling equipment by using conventional solid reagents that can be manipulated with standard laboratory glassware and techniques

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The invention introduces stable solid SF5X compounds as intermediary reagents that deliver the SF5O- anion without requiring direct handling of gaseous thionyl tetrafluoride, thus mediating between the desired product and the constraints of conventional laboratory equipment

Inventive Principle:
Principle #24Intermediary (Mediator)

3Adaptability or versatility

If the SF5O- anion is generated using conventional methods, then it can be used for C-SF5 bond construction, but the anion stability is poor and applications are limited

Engineering Contradiction:
Improveapplication scopeVSAvoidanion stability
Core Design Contradiction:
Adaptability or versatilityVSStability of the object's composition

Solution Approach 1:

The patent stabilizes the SF5O- anion by changing the counterion parameters and solvation conditions, enabling the anion to maintain stability while preserving its reactivity for diverse applications beyond C-SF5 bond construction

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention expands the utility of SF5O- salts by demonstrating their applicability in multiple reaction types (nucleophilic substitutions, additions to unsaturated systems, metal coordination), transforming them from specialized reagents to versatile building blocks

Inventive Principle:
Principle #6Universality (Multi-functionality)

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 process yields stable SF5O- anions that are soluble and efficient as reagents for incorporating the SF5O- fragment into organic molecules, enhancing their application in various chemical reactions.

Implementation Method 1

reacting SF5X with inorganic bases and organic cations at room temperature

Methodology Applied
Scientific EffectChemical reaction: Chemical Bonding

Implementation Method 2

The composition obtained in the process described in the first aspect is suitable for direct application as it possesses favourable solubility of the SF5O-

Methodology Applied
Scientific EffectSolubility: Solvation

Data Source

PatentEP4588890A1Process for the preparation of pentafluorosulfonolate salts composition, composition obtained by the process and the use of the composition
Publication Date: 2025.07.23 UNIV ROVIRA I VIRGILI
  • EP4588890A1 patent drawing
  • EP4588890A1 patent drawing

AI summary

The present invention relates to a process for the preparation of pentafluorosulfonolate salts composition, the composition obtained in the process and its use. The composition comprising the pentafluorosulfonolate salts are useful for incorporating the pentafluorosulfanolate fragment into organic molecules using SFsO anionic species as reagents.