Three-Component Crystal Synthesis for Chlorantraniliprole
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Solution Overview
Problem
Conventional processes for producing high purity 3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid and 2-amino-5-chloro-N,3-dimethylbenzamide, key intermediates in chlorantraniliprole synthesis, involve recrystallization steps that generate waste and result in yield loss.
Innovation Solution
A method involving the formation of three-component crystals in an equimolar ratio of these compounds with an amine base in a polar aprotic solvent, followed by isolation and subsequent reaction with an acid activating agent to produce chlorantraniliprole, allowing for improved control and efficiency in the synthesis.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Manufacturing precision
If recrystallization steps are used for both intermediates individually to produce high purity compounds, then purity is improved, but waste generation increases and yield loss occurs
Solution Approach 1:
The patent combines two separate recrystallization processes into a single simultaneous recrystallization process where both intermediates (Formula II and Formula III) are recrystallized together in one operation. This merging eliminates the need for separate purification steps, reducing waste generation and minimizing yield loss while maintaining high purity of both compounds. The combined process uses a single solvent system and filtration step to purify both intermediates concurrently.
2Manufacturing precision
If conventional separate processing methods are used for intermediates, then individual compound purity can be achieved, but process complexity and time consumption increase
Solution Approach 1:
The patent merges multiple sequential operations into a single simultaneous recrystallization process. Both intermediates are dissolved, recrystallized, and filtered together in one continuous operation rather than sequentially. This significantly reduces process time while achieving the same purity levels for both compounds, as the simultaneous process eliminates intermediate handling steps and reduces overall processing duration.
3Manufacturing precision
If multiple separate recrystallization steps are performed for each intermediate, then high purity can be achieved, but the number of操作步骤 increases
Solution Approach 1:
The patent consolidates multiple separate recrystallization operations into a single unified process step. Both intermediates undergo recrystallization simultaneously using one solvent system, one heating setup, and one filtration operation. This merging reduces the number of process steps from multiple sequential operations to a single integrated operation, simplifying the overall manufacturing process while maintaining high purity standards for both compounds.
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 reduces waste and yield loss, enabling the production of high purity chlorantraniliprole with better control over reaction conditions and the formation of uniform crystals, achieving high yields and purity.
Implementation Method 1
mixing the compound of Formula II, the compound of Formula III and the amine base in a polar aprotic solvent, and isolating the three-component crystals from the polar aprotic solvent
Data Source
AI summary
Disclosed are three-component crystals comprising compounds of Formula II, compounds of Formula III and an amine base in an equimolar ratio (1:1:1). Also disclosed are methods for preparing the three-component crystals comprising compounds of Formula II, compounds of Formula III and an amine base in an equimolar ratio (1:1:1). Further disclosed are methods for the preparation of chlorantraniliprole using the three-component crystals of the disclosure.