Parameterization and Analysis of Peptide-Based Catalysts for the Atroposelective Bromination of 3‑Arylquinazolin-4(3<i>H</i>)‑ones

  • Jennifer M. Crawford (4752006)
  • Elizabeth A. Stone (1265436)
  • Anthony J. Metrano (1522099)
  • Scott J. Miller (1308798)
  • Matthew S. Sigman (1306671)
Publication date
January 2018

Abstract

We report the development of a method to parameterize and predict the performance of structurally flexible β-turn-containing peptide catalysts, using the atroposelective bromination of 3-arylquinazolin-4­(3<i>H</i>)-ones as a case study. The multivariate correlations obtained for tetrapeptides of two β-turn types, type I′ pre-helical and type II′ β-hairpin, indicate that although one conformer may be associated with a more dominant contribution to the observed enantioselectivity, it is possible that multiple conformers contribute to a complex transition state ensemble

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