Continuous synthesis of active pharmaceutical ingredients, donepezil and sevoflurane, and the flow translation of Suzuki-Miyaura cross couplings

The processed data submitted supports the findings presented in the thesis titled "Flow chemistry investigations into the synthesis of donepezil, sevoflurane, and Suzuki-Miyaura cross couplings", which explored the continuous flow synthesis of active pharmaceutical ingredients donepezil and sevoflurane, as well as the translation of the Suzuki-Miyaura cross coupling to flow conditions. The dataset comprises the following components:

1) Design of Experiments (DoE) output using the MODDE software: This includes processed datasets generated from the DoE studies used to optimize key reaction parameters (temperature, residence time, reagent equivalences, etc.) in the pathway of donepezil. The data figures/tables include predefined and actual experimental runs conducted, model fitting results (R2, Q2, etc.) and contour plots and response surface data

2) Nuclear Magnetic Resonance (NMR) spectroscopy Figures: Processed 1H- and 13C-NMR spectra were used for structural confirmation of intermediates and the final APIs. Quantitative NMR was also used to quantify the amounts of intermediates in the pathway of donepezil and sevoflurane, as well as the purity of the final donepezil API

3) Liquid Chromatography data includes figures of processed chromatograms with retention times and peak assignments and calibration curves graphs used for quantitative analysis of intermediates Chromatograms and peak area tables that were used for assessing the yield of product intermediates are included.