Title: Mechanochemical Electrophilic Fluorination of Liquid Beta-Ketoesters


Citation
Howard JL, Sagatov Y, Browne DL (2018). Mechanochemical Electrophilic Fluorination of Liquid Beta-Ketoesters. Cardiff University. https://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

DOI URL: http://doi.org/10.17035/d.2017.0043204405

Related URL: http://www.thebrowneresearchgroup.co.uk


Description

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


Keywords

Mechanochemistry

Related Projects

Last updated on 2022-29-04 at 14:41