What is it about?
In the present work we describe the preparation of two diastereomers from the enantioselective Michael addition of furan‐2(5H)‐one to (E)‐(2‐nitrovinyl)benzene catalyzed by a dinuclear Zn‐complex. The relative configurations of the diastereomeric products were assigned by NMR and theoretical calculations. The absolute configuration of each diastereomer was assigned by analysis of electronic circular dichroism (ECD) data.
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Why is it important?
The relative and absolute stereochemistries of two diasteroisomeric compounds were determined by NMR, ECD and theoretical calculations. We have shown the capabilities of theoretical calculations in determining the relative and absolute configurations of stereoisomeric compounds. Full characterization would not be possible using only NMR data.
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This page is a summary of: Characterization of stereoisomeric 5-(2-nitro-1-phenylethyl)furan-2(5H)-ones by computation of 1
H and 13
C NMR chemical shifts and electronic circular dichroism spectra, Magnetic Resonance in Chemistry, July 2020, Wiley, DOI: 10.1002/mrc.5073.
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Characterization of stereoisomeric 5‐(2‐nitro‐1‐phenylethyl)furan‐2(5H)‐ones by computation of 1H and 13C NMR chemical shifts and electronic circular dichroism spectra.
Lopes, DT, Hoye, TR, Alvarenga, ES. Characterization of stereoisomeric 5‐(2‐nitro‐1‐phenylethyl)furan‐2(5H)‐ones by computation of 1H and 13C NMR chemical shifts and electronic circular dichroism spectra. Magn Reson Chem. 2020. https://doi.org/10.1002/mrc.5073
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