TY - GEN A1 - Kern, Simon T1 - “Click” analytics for “click” chemistry – a simple method for calibration-free evaluation of online NMR spectra N2 - Currently research in chemical manufacturing moves towards flexible plug-and-play approaches focusing on modular plants, capable of producing small scales on-demand with short down-times between individual campaigns. This approach allows for efficient use of hardware, a faster optimization of the process conditions, and thus, an accelerated introduction of new products to the market [1]. Driven mostly by the search for chemical syntheses under biocompatible conditions, so-called “click” chemistry rapidly became a growing field of research. The resulting simple one-pot reactions are so far only scarcely accompanied by an adequate optimization via comparably straightforward and robust analysis techniques. Here we report on a fast and reliable calibration-free online high field NMR monitoring approach for technical mixtures. It combines a versatile fluidic system, continuous-flow measurement with a time interval of 20 s per spectrum, and a robust, automated algo-rithm to interpret the obtained data. All spectra were acquired using a 500 MHz NMR spectrometer (Varian) with a dual band flow probe having a 1/16 inch polymer tubing working as a flow cell. Single scan 1H spectra were recorded with an acquisition time of 5 s, relaxation delay of 15 s. T2 - 11. Doktorandenseminar 2017 des Arbeitskreis Prozessanalytik der GDCh und DECHEMA CY - Berlin, Germany DA - 12.03.2017 KW - Online NMR Spectroscopy KW - Click chemistry KW - Data analysis PY - 2017 UR - https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/39397 AN - OPUS4-39397 AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany