Summary and further reading
Route selection is at the foundation of designing a route that meets operational, environmental, legal and economic factors. The following are a selection of just some of the tools that are available to provide information and assistance with route selection:
- Science of Synthesis
- Information arranged according to structure
- Prous Science Integrity
- Compounds which have entered clinical trials
- Database of bulk chemicals
- Wiley ChemPlanner
- Google Scholar
These tools enable information to be sourced for route selection: ranging from searching for existing synthesis routes to an API; information and physical data on existing intermediate compounds; reagents and transformations; patents and even designing novel synthetic routes to a given target molecule.
There are also a wealth of journal articles and printed books on the subject. Here is a selection for further reading:
The importance of Green Chemistry in Process Research and Development, Chem. Soc. Rev., 2012, 41, 1452-1461.,
Holistic Route Selection, Org. Process Res. Dev., 2012, 16, 415-424.,
The Eight Criteria Defining a Good Chemical Manufacturing Process, Org. Process Res. Dev., 2012, 16, 1697-1706.,
Critical Assessment of Pharmaceutical ProcessesA Rationale for Changing the Synthetic Route, Chem. Rev., 2006, 106, 3002-3027.,
Looking Forward in Pharmaceutical Process Chemistry, Science, 2009, 325, 701-704.,
Chemical Process Research and Development in the 21st Century: Challenges, Strategies, and Solutions from a Pharmaceutical Industry Perspective, Acc. Chem. Res., 2009, 42, 671-680.,
Assessing the Benefits of Direct Isolation Processes, Org. Process Res. Dev., 2004, 8, 260-265.,
Process Intensification via Reaction Telescoping and a Preliminary Cost Model to Rapidly Establish Value, Org. Process Res. Dev., 2012, 16, 160-165.
Reduced resource consumption through three generations of Galantamine[middle dot]HBr synthesis, Green Chem., 2013, 15, 744-748.,
The Growing Impact of Catalysis in the Pharmaceutical Industry, Adv. Synth. Catal., 2011, 353, 1825-1864.,
Process Chemistry: The Science, Business, Logic, and Logistics, Chem. Rev., 2006, 106, 2583-2595.
A “Bottom-Up” Approach to Process Development: Application of Physicochemical Properties of Reaction Products toward the Development of Direct-Drop Processes, Org. Process Res. Dev., 2001, 5, 508-513.,
Pharmaceutical Green Chemistry process changes - how long does it take to obtain regulatory approval?, Green Chem., 2013, 15, 3099-3104.,
A robustness screen for the rapid assessment of chemical reactions, Nat. Chem., 2013, 5, 597-601.
Pharmaceutical Process Development : Current Chemical and Engineering Challenges, Royal Society of Chemistry, Cambridge, 2011.,