Fig. 6: Mechanistic studies. | Nature Communications

Fig. 6: Mechanistic studies.

From: Trifluoroethanol-assisted asymmetric propargylic hydrazination to α-tertiary ethynylhydrazines enabled by sterically confined pyridinebisoxazolines

Fig. 6

a X-ray structure of CuCl2/L1 and CuCl2/L9. b Nonlinear effects of the e.e. values of ligand L9 and product 3a. c Variations of CuCl2/L9 ratios of propargylic hydrazination of 1a and 2a. NMR yield. d UV–vis spectroscopy experiments with Cu complexes. e DFT calculations of the optimized structures for TS modes to chiral 3a catalyzed by benzylthio–PYBOX L4 in the absence of TFE. f DFT calculations of the optimized structures in the presence of TFE.

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