A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template

A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template

This repository contains the experimental data discussed in the manuscript. Including, 1H NMR, 13C NMR, 11B NMR (FID and PDF) and Mass Spectra for compound 1d and complexes of 1a, 1b, 1c, 1d, 1e and 1f with 1,3-phenyldiboronic acid. Output files from energy minimisation and equilibrium geometry calculations using a semi-empirical (PM3) method to calculate the lowest energy conformations of the heterochiral (meso) and homochiral boronate esters (RR and SS) derived from 1-phenyl-1,3-propanediol 1c. A calibration curve in Excel format for using the measured de to obtain the absolute ee of the sample.

Cite this dataset as:
Tickell, D., Lampard, E., Lowe, J., James, T., Bull, S., 2016. A Simple Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template. University of Bath. https://doi.org/10.15125/BATH-00211.

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Data

A_Protocol_for_ ... hiral_Diols.zip
application/zip (15MB)

Creators

Emma Lampard
University of Bath

Tony James
University of Bath

Steven Bull
University of Bath

Documentation Files

README.rtf
text/rtf (63kB)

Funders

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Doctoral Training Centre in Sustainable Chemical Technologies
EP/G03768X/1

Publication details

Publication date: 2016
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-00211

URL for this record: https://researchdata.bath.ac.uk/id/eprint/211

Related articles

Tickell, D. A., Lampard, E. V., Lowe, J. P., James, T. D. and Bull, S. D., 2016. A Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template. The Journal of Organic Chemistry, 81(15), pp.6795-6799. Available from: https://doi.org/10.1021/acs.joc.6b01005.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: David Tickell

Departments:

Faculty of Science
Biology & Biochemistry
Chemistry