Data for "Fast Continuous Alcohol Amination Employing a Hydrogen Borrowing Protocol"
MetadataShow full item record
Labes, R., Mateos, C., Battilocchio, C., Chen, Y., Dingwall, P., Cumming, G., Rincón, J., et al. (2021). Data for "Fast Continuous Alcohol Amination Employing a Hydrogen Borrowing Protocol" [Dataset]. https://doi.org/10.17863/CAM.31732
NMR and HRMS raw data for the communication entitled "Fast Continuous Alcohol Amination Employing a Hydrogen Bor-rowing Protocol" NMR spectroscopy: 1H-NMR spectra were recorded on a 400 MHz Avance III HD spectrometer or Bruker Avance DPX-600 spectrometer with the residual solvent peak as the internal reference (CDCl3 = 7.26 ppm, d6-DMSO = 2.50 ppm, CD3OD = 3.31 ppm). 1H resonances are reported to the nearest 0.01 ppm. 13C-NMR spectra were recorded on 400 MHz Avance III HD spectrometer with the central resonance of the solvent peak as the internal reference (CDCl3 = 77.16 ppm, d6- DMSO = 39.52 ppm, CD3OD = 49.00 ppm). All 13C resonances are reported to the nearest 0.1 ppm. The multiplicity of 1H signals are indicated as: s = singlet, d = doublet, dd = doublet of doublet, ddd = doublet of doublet of doublet, t = triplet, q = quadruplet, quint = quintet, sext = sextet, m = multiplet, br = broad, or combinations of thereof. Coupling constants (J) are quoted in Hz and reported to the nearest 0.1 Hz. Where appropriate, averages of the signals from peaks displaying multiplicity were used to calculate the value of the coupling constant. High-resolution mass spectrometry (HRMS) was performed using a Waters Micromass LCT Premier™ spectrometer using time of flight (TOF) mass detection and positive ESI ionization method. Unless otherwise stated, reported mass correspond to the parent molecular ion associated with a proton [M+H]+ or a sodium cation [M+Na]+ ( 23Na isotope). All m/z values are reported to four decimal places.
NMR data was processed using MestreNova software.
Publication Reference: https://doi.org/10.1039/C8GC03328Ehttps://www.repository.cam.ac.uk/handle/1810/286858
Engineering and Physical Sciences Research Council (EP/K009494/1)
Engineering and Physical Sciences Research Council (EP/M004120/1)
Engineering and Physical Sciences Research Council (EP/K039520/1)
This record's DOI: https://doi.org/10.17863/CAM.31732
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/