Criteria for Ideal Synthesis
Illustrated by the Case of Intermediate Synthesis

Whether it is a complete process route or the final process route determined through screening of independent unit reaction, it is derived from the information provided by the literature and other channels. All possible routes should be listed, and several more suitable routes should be selected theoretically (best 2-3), and then combined with the actual operation in the course of the route, choose or combine one reaction route. Then what are the criteria for ideal synthesisCriteria for Ideal Synthesis 1

Criteria for ideal synthesis — industrialization

Industrialization is the ultimate goal of our development process. Therefore, our first consideration when choosing a route for intermediate synthesis is whether it can be mass-produced. Generally, you can get the basic operation method and material ratio information when consulting the literature. Avoid methods with “column chromatography” involved, which is usually the case for small production. And here are more considerations when choosing the route for intermediate synthesis.

Criteria for ideal synthesis — materials

Several alternative routes will have different material choices, which requires us to make a preliminary assessment of the materials involved. The key materials are indispensable in the intermediate synthesis reaction and cannot be replaced at will. This requires the following considerations: Are these materials widely and easily available in the market? Are there enough manufacturers for you to better choose? Can stable supply be ensured?

Criteria for ideal synthesis — operability

Operability is actually inseparable from industrialization. The operability discussed here refers to whether the process route for intermediate synthesis contains complex operations, difficult control, and highly dangerous unit reactions.

Operational complexity, including reaction operations and post-processing operations. For example: in the post-treatment process, washing or extraction is selected for purification and separation, and more than three repeated operations are required to reach the qualified quality control range. For such an operation, if an alternative method can be found, replace it.

The various parameters of the intermediate synthesis reaction must be within easy control ranges. For example: For the reaction temperature, the best controllable range is ±5°C or even a wider range. If the temperature control range is set too narrow, it will not be operable in actual production, especially for the response to a large increase in temperature and decrease in temperature. Therefore, when choosing a response, you must avoid choosing a spire response.

You must be cautious or even avoid choosing a reaction with a high degree of danger. In actual production, production safety is the top priority.

Criteria for ideal synthesis — quality control

As a chemical synthesis lab, quality control for us is of great importance. During the intermediate synthesis process, the quality control here mainly involves the quality control of intermediates. For the prepared intermediates, it is easy to formulate clear quality standards to control the quality, otherwise, consider changing the process route or the unit reactions involved.

When preparing intermediates, as much as possible to obtain intermediates in solid form. If the prepared free compound is liquid or oily, some salt-forming conditions need to be screened to convert it into a solid form. This is because liquid or oily substances have certain difficulties in the formulation of quality standards, especially in the formulation of content and residual solvent limits. If the transformation cannot be carried out by some means, it is best to choose a process route or unit reaction that is easy to control the quality of intermediates, especially key intermediates.

In terms of solvents for intermediate reaction and post-processing, first of all, there should be no mixed solvents with unclear components. For example, if petroleum ether is used in the solvent, it is necessary to consider replacing it with n-hexane. If the replacement fails to meet the requirements of the quality standard, it is necessary to consider re-selecting the route and unit operation, because petroleum ether is used as a mixed solvent, and the formulation of the solvent residue limit will bring greater difficulty. In the same way, there are also four types of solvent reactions, which must be carefully selected for the intermediate synthesis.

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