Topramezone Form I Crystallization Stability
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Solution Overview
Problem
The production of topramezone crystalline forms often results in complex mixtures of various crystal modifications, leading to unsatisfactory stability in formulations, with existing solid forms exhibiting issues such as needle-shaped crystals, low stability against phase transformation, and poor handling characteristics.
Innovation Solution
A stable, high-purity crystalline modification of topramezone, referred to as Form I, is obtained through specific processes, which includes crystallization from organic solvents like alcohols and alkanediols, resulting in compact block-shaped crystals that are easier to filter and handle, with enhanced stability and purity levels.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If conventional crystallization processes are used to produce topramezone, then crystalline solid forms are obtained, but complex mixtures of various crystal modifications result, leading to poor formulation stability
Solution Approach 1:
The patent applies parameter changes by systematically varying crystallization conditions (temperature, solvent type, concentration, cooling rate) to selectively obtain Form I crystals. By controlling these parameters, the process achieves high purity (>90%) Form I crystals with superior formulation stability, resolving the contradiction between obtaining pure crystal forms and ensuring formulation stability.
Solution Approach 2:
The patent uses specific solvent systems as intermediaries to facilitate the formation of Form I crystals. By selecting appropriate solvents and solvent mixtures as intermediaries in the crystallization process, the invention achieves both high crystal form purity and excellent formulation stability, overcoming the limitations of conventional direct crystallization methods.
2Ease of operation
If existing solid forms of topramezone are used, then production is achieved, but needle-shaped crystals result, which are difficult to filter and handle
Solution Approach 1:
The patent employs parameter changes in the crystallization process (temperature profile, solvent composition, agitation conditions) to control crystal morphology. These parameter adjustments transform the needle-shaped crystals into compact block-shaped Form I crystals that are easy to filter and handle, while maintaining high purity and formulation stability.
3Stability of the object's composition
If conventional crystallization is applied to topramezone, then solid forms are produced, but low stability against phase transformation occurs
Solution Approach 1:
The patent utilizes specific solvent systems as intermediaries that promote the formation of thermodynamically stable Form I crystals. These solvent intermediaries enable the production of crystals with high phase transformation stability and long-term reliability, overcoming the instability issues of conventional topramezone solid forms.
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
Form I exhibits increased stability and improved handling properties, leading to more stable formulations with higher purity levels, specifically achieving at least 90% by weight, and is identified using X-ray powder diffractometry with characteristic diffraction patterns.
Implementation Method 1
crystallization from organic solvents like alcohols and alkanediols, resulting in compact block-shaped crystals
Implementation Method 2
identified using X-ray powder diffractometry with characteristic diffraction patterns
Implementation Method 3
An X-ray powder diffractogram recorded at 30 ° C using Cu-Kα radiation (1.54178 Å) shows at least 5, often at least 6, in particular at least 7, and especially all of those in the following Table 1 as 2θ values
Data Source
Figure 1~2
Figure 3~4
Figure 5~6
AI summary
The present invention relates to crystalline forms of [3-(4,5-dihydro-3-isoxazolyl)- 2-methyl-4-(methylsulfonyl)phenyl]-(5-hydroxy-1 -methyl-1H-pyrazol-4-yl)methanone, which is also known by the common name topramezone. The invention also relates to a method for the production of these crystalline forms, and to formulations which contain one of these crystalline forms of topramezone for protecting plants.