Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals

• Published in: Science (American Association for the Advancement of Science) 2018-01, Vol.359 (6373), p.314-319
• Main Authors: Kitson, Philip J, Marie, Guillaume, Francoia, Jean-Patrick, Zalesskiy, Sergey S, Sigerson, Ralph C, Mathieson, Jennifer S, Cronin, Leroy
• Format: Article
• Language: English
• Subjects: Automation; Baclofen; Baclofen - chemical synthesis; Chemical synthesis; Chemistry; Chemistry Techniques, Synthetic - instrumentation; Chemistry Techniques, Synthetic - methods; Digitization; Drugs; Fine chemicals; GABA-B Receptor Agonists - chemical synthesis; Glassware; Investment; Manufacturing; Muscle relaxants; Muscles; Pharmaceutical Preparations - chemical synthesis; Pharmaceuticals; Plastics; Printing, Three-Dimensional; Purification; Three dimensional printing; Workflow; γ-Aminobutyric acid
• ISSN: 0036-8075; 1095-9203
• DOI: 10.1126/science.aao3466

Chemical manufacturing is often done at large facilities that require a sizable capital investment and then produce key compounds for a finite period. We present an approach to the manufacturing of fine chemicals and pharmaceuticals in a self-contained plastic reactionware device. The device was designed and constructed by using a chemical to computer-automated design (ChemCAD) approach that enables the translation of traditional bench-scale synthesis into a platform-independent digital code. This in turn guides production of a three-dimensional printed device that encloses the entire synthetic route internally via simple operations. We demonstrate the approach for the γ-aminobutyric acid receptor agonist, (±)-baclofen, establishing a concept that paves the way for the local manufacture of drugs outside of specialist facilities.