Crystal structures of proline-derived enamines

Proc Natl Acad Sci U S A. 2010 Nov 30;107(48):20636-41. doi: 10.1073/pnas.1006509107. Epub 2010 Nov 10.

Abstract

The isolation and structural characterization of both aldehyde- and ketone-derived proline enaminones are reported and discussed. Crystal structures of 10 proline enamines provide information on stereochemical aspects, i.e., double bond configuration and syn- vs. anti-positioning of the carboxylate relative to the enamine double bond. Furthermore, the obtained crystal structures are compared with the density functional theory-calculated structures of the ground and transition state and the postulated Seebach-Eschenmoser transition state.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Biocatalysis
  • Crystallography, X-Ray
  • Molecular Conformation
  • Proline / chemistry*

Substances

  • Proline