Multivariate analysis of inline benchtop NMR data enables rapid optimization of a complex nitration in flow
Peter Sagmeister, Johannes Poms, Jason D. Williams, C. Oliver Kappe
Abstract
Multivariate analysis is applied to inline benchtop NMR data for a complex nitration in flow. This rapid quantification enables reaction optimization using advanced techniques in flow, such as design of experiments and dynamic experimentation.
Topics & Concepts
NitrationMultivariate statisticsMultivariate analysisFlow (mathematics)Computer scienceChemistryOrganic chemistryPhysicsMechanicsMachine learningInnovative Microfluidic and Catalytic Techniques InnovationMicrofluidic and Capillary Electrophoresis ApplicationsAnalytical Chemistry and Chromatography