Cardiff University
Browse

Lewis acid-base 1,2-addition reactions: synthesis of pyrylium borates from en-ynoate precursors

Download (6.62 MB)
dataset
posted on 2024-09-18, 10:18 authored by Lewis WilkinsLewis Wilkins, Hugh HamiltonHugh Hamilton, Benson KariukiBenson Kariuki, ASK Hashmi, MM Hansmann, Rebecca MelenRebecca Melen

Treatment of methyl (Z)-2-alken-4-ynoates with the strong Lewis acid tris(pentafluorophenyl) borane, B(C6F5)3, yield substituted zwitterionic pyrylium borate species via an intramolecular 6-endo-dig cyclisation reaction. The supporting information, including figures of the NMR spectra for the compounds and reactions in the paper are included along with experimental procedures. X-ray data are included here which can be visualized using software for X-ray crystal structure determination/visualization which was used to characterise the compounds synthesised. Computation studies by DFT are included.

Results based upon these data are published at http://doi.org/10.1039/c5dt03340c


Funding

Cardiff University-Equipment Account

Engineering and Physical Sciences Research Council

Find out more...

History

Specialist software required to view data files

Software to view NMR spectra e.g. MNova Software to visualise X-ray structures e.g. Mercury Avogadro software to visualise DFT calculations.

Language(s) in dataset

  • English-Great Britain (EN-GB)

Data-collection start date

2015-06-01

Data-collection end date

2016-12-20

Usage metrics

    School of Chemistry

    Categories

    No categories selected

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC