There are often multiple process routes for an API, which have a direct impact on the possibility of industrial production of the product, material costs, product quality and even the environment. Our company can provide you with API synthesis route design services. We design the synthetic route by consulting a large amount of information, analyzing the source of synthetic raw materials, whether the synthetic route has intellectual property rights issues, whether the production cost is acceptable, and whether it meets the requirements of green chemistry, and then provide you with the best synthetic route. If you have any needs, please feel free to contact us.
API Route Design and Selection
The research on the synthetic process route of API covers two aspects: the design of the synthetic process route and the selection of the synthetic process route. In our company, our experienced Ph.D. in chemistry formulates multiple new API synthesis routes through retrosynthetic analysis and analogy and conducts laboratory exploration of new routes to evaluate whether these routes and related steps meet the requirements of scale-up, cost, safety and quality control, then choose the best API synthesis route.
API Route Design Method
1. Retrosynthetic Analysis
Retrosynthetic analysis is the process of deriving simple starting materials from complex target molecules, which is just the opposite of the actual process of chemical synthesis, so it is called "retro" synthesis, or "reverse" synthesis. The process of retrosynthetic analysis can be simply summarized as follows: analyze the structure of the target molecule, cut it off, determine the synthon, and find the synthetic equivalent, and repeat the three steps until a suitable starting material is found.
When using the retrosynthetic analysis for API route design, the selection of the cut-off site is a key aspect in determining the merit of the route. A carbon-hetero or carbon-carbon bond in the molecular backbone that is convenient to construct is usually chosen as the cut-off site.
2. Analogy
The analogy method in API synthesis route design consists of two stages: simulation and analogization. In the simulation stage, first of all, the structure of the target API should be accurately and meticulously analyzed to discover its key structural features. Secondly, multiple analogues with highly similar structural features to the target API and their chemical information should be obtained by using a variety of literature searches. Thirdly, multiple synthetic routes of multiple analogues that are reported in the literature should be compared, analyzed and summarized to gradually form a broad idea of synthetic route design for analogues.
In the analogous stage, firstly, a process route is selected from a number of analogue synthesis routes that can be applied to the synthesis of the target API. Secondly, the structural characteristics of the target API and its various analogues are further analyzed to confirm the differences between them. Finally, the synthetic route of the API is designed using the selected analogues as a reference, taking into account the actual situation of the API itself.
Evaluation and Selection of API Route
Evaluation of API Route
The main technical indicators for evaluating the API process route are as follows:
| Convergent synthesis strategy | Reaction steps are minimized | The source of raw materials is stable |
| Chemical technology available | Production equipment is reliable | Simplified post-processing |
| Minimized environmental impact | | |
2. Selection of API Route
The selection of a process route must closely combine technology and market in order to obtain the optimal process route with the lowest overall cost. Firstly, an objective and accurate evaluation of the strengths and weaknesses of each route should be made based on the main technical indicators of the API routes evaluated above. Subsequently, the advantages and disadvantages, pros and cons of each route should be repeatedly compared and weighed, and an alternative process route with clear industrialization prospects should be selected. Then, after systematic and rigorous research and demonstration, the optimal route for API is finally determined and used for pilot or industrial production.
Our Advantages
- The design and exploration of synthetic routes are led by experienced chemists.
- Multiple routes are advanced in parallel, and routes can be adjusted flexibly to avoid missing any possible advantageous routes.
- Using various analytical methods such as LC-MS, GC-MS and nuclear magnetic resonance, the optimal route can be quickly screened out.
- Rapid hazardous chemical handling and production capabilities help route development and advance drug development.
- Use highly selective reactions to reduce by-product formation.
Delivery
| Optimal synthetic route | Key references |
| Pros and cons of each API route | Detailed experimental operation process |
Please kindly note that our services are for research use only.
