Continuous-flow chemistry coupled with additive 3D printing and subtractive manufacturing techniques to enhance safety, cost-effectiveness, and sustainability in pharmaceutical production

<p dir="ltr">The processed data submitted supports the findings presented in the thesis titled “Advancing Small Organic Molecule Synthesis: Integrating Additive Manufacturing and Flow Chemistry Techniques.” This research followed a two-part focus:</p><ol><li>The continuous flow synthesis of the active pharmaceutical ingredients (APIs) bupropion and fluoxetine, and</li><li>The design and prototyping of custom flow chemistry reactors using additive manufacturing techniques.</li></ol><p dir="ltr">The dataset comprises the following components:</p><ul><li>Reaction optimization datasets:<b> </b>processed data on key reaction parameters (e.g., temperature, residence time, reagent equivalences) for the synthesis pathways of bupropion and fluoxetine. Figures and tables include predefined and actual experimental runs, as well as associated instrumental setups.</li><li>Reactor optimization data:<b> </b>performance results from experimental evaluation of designed reactor prototypes.</li><li>3D CAD designs:<b> </b>Image files and CAD models containing detailed design specifications, cross-sectional views, and supporting structural information.</li><li>NMR spectroscopy data:<b> </b>processed ¹H- and ¹³C-NMR spectra confirming the structure of intermediates and final APIs. Quantitative NMR was additionally used to determine the purity of the final bupropion API.</li><li>Additional characterization data: Including scanning electron microscopy (SEM) images, single-crystal X-ray diffraction (SCXRD) data, powder X-ray diffraction (PXRD) data, Raman spectroscopy, as well as COSY and NOESY NMR spectra for selected intermediates and the final bupropion API.</li><li>Supplementary video files: provided through QR codes linking to experimental and/or assembly demonstrations.</li></ul><p><br></p>