Title: Mechanochemical Electrophilic Fluorination of Liquid Beta-Ketoesters

Howard JL, Sagatov Y, Browne DL (2018). Mechanochemical Electrophilic Fluorination of Liquid Beta-Ketoesters. Cardiff University. http://doi.org/10.17035/d.2017.0043204405

Access Rights: Data can be made freely available subject to attribution
Access Method: Click to email a request for this data to opendata@cardiff.ac.uk

Cardiff University Dataset Creators

Dataset Details
Publisher: Cardiff University
Date (year) of data becoming publicly available: 2018
Data format: .jpg .fid
Estimated total storage size of dataset: Less than 100 megabytes
DOI: 10.17035/d.2017.0043204405


Analysis of an improved substrate scope for the mechanochemical electrophilic fluorination of dicarbonyls is reported. The applicable substrates have now been broadened to include liquid b-ketoesters. Key to this capability is the inclusion of a grinding auxiliary (NaCl) to improve mass transfer and prevent pasting or gumming of the reaction mixture. Notably, the use of a small amount of acetonitrile is ciritical to increasing the rate of reaction, ensuring complete consumption of starting materials during the short reaction times as well as improving the selectivity for the monofluorinated product in the mill.

The data here contains a selection of 1H, 13C, 19F NMR data, as well as IR, MS and any relevant chromatography information. Some files may be processed in advance and deposited and some may require access to typical processing tools for data of this type.

Research results based upon these data are published at https://doi.org/10.1016/j.tet.2017.11.066



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