Saflufenacil Salt Solid Forms for Solubility and Purification
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Solution Overview
Problem
Saflufenacil, a herbicide, is difficult to formulate due to its low solubility in various solvents and aqueous media, leading to stability issues and challenges in purification, particularly with its amorphous form and known crystalline modifications.
Innovation Solution
Development of novel solid forms of saflufenacil-sodium and saflufenacil-potassium, including anhydrous, crystalline, hydrate, and solvate forms, through a process involving a solution of saflufenacil in an organic solvent, addition of a base, optional heating, and cooling, which enhances solubility and facilitates purification.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Ease of manufacture
If saflufenacil is prepared by conventional processes (reaction of acid chloride with sulfonamide or methylation reaction), then the compound can be synthesized, but the product is amorphous and extremely difficult to formulate due to low solubility in various liquid media
Solution Approach 1:
The patent changes the chemical form of saflufenacil from neutral to ionic by forming sodium or potassium salts. This parameter change fundamentally alters the solubility characteristics, enabling the compound to dissolve in aqueous media where the neutral form is insoluble. The ionic nature of the salts provides better solubility and stability for formulation.
Solution Approach 2:
The patent uses sodium or potassium salts as intermediary forms to bridge the gap between the amorphous neutral saflufenacil and stable aqueous formulations. These salts act as mediators that improve solubility and can be used in purification processes, eventually yielding the active ingredient in a form suitable for formulation.
2Productivity
If saflufenacil is prepared by methylation reaction, then the compound can be synthesized, but purification is difficult due to formation of dimethylated by-products that are hard to separate
Solution Approach 1:
The patent changes the solubility parameter by forming ionic salts, which allows for simplified purification. The sodium or potassium salts of saflufenacil have different solubility characteristics compared to the neutral form and its dimethylated by-products, enabling easier separation through crystallization or filtration processes, thereby improving purification yield and reducing process complexity.
3Stability of the object's composition
If crystalline modifications of saflufenacil are used, then the compound has defined structure, but solubility in aqueous media remains poor causing formulation problems
Solution Approach 1:
The patent changes the chemical parameter from neutral crystalline saflufenacil to ionic sodium or potassium salts. This transformation fundamentally improves aqueous solubility while maintaining crystalline structure stability. The salts can form stable crystalline forms that are both structurally defined and highly soluble in water, resolving the contradiction between structural stability and aqueous solubility.
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 solid forms exhibit improved solubility and stability, enabling efficient herbicidal compositions and high-yield purification of saflufenacil, overcoming previous formulation and purification challenges.
Implementation Method 1
adding a base
Implementation Method 2
providing a solution of saflufenacil in an organic solvent
Implementation Method 3
optionally, heating
Implementation Method 4
optionally, cooling
Implementation Method 5
adding an anti-solvent
Data Source
AI summary
The present invention relates to novel solid forms of saflufenacil-sodium or saflufenacil-potassium. The present invention further relates to a process of making said novel solid forms of saflufenacil-sodium or saflufenacil-potassium. Still further, the present invention relates to the use of the novel solid forms of saflufenacil-sodium or saflufenacil-potassium.