Evans Enolates: Solution Structures of Lithiated Oxazolidinone-Derived Enolates

J Am Chem Soc. 2015 Oct 14;137(40):13087-95. doi: 10.1021/jacs.5b08207. Epub 2015 Oct 5.

Abstract

The results of a combination of (6)Li and (13)C NMR spectroscopic and computational studies of oxazolidinone-based lithium enolates-Evans enolates-in tetrahydrofuran (THF) solution revealed a mixture of dimers, tetramers, and oligomers (possibly ladders). The distribution depended on the structure of the oxazolidinone auxiliary, substituent on the enolate, and THF concentration (in THF/toluene mixtures). The unsolvated tetrameric form contained a D(2d)-symmetric core structure, whereas the dimers were determined experimentally and computationally to be trisolvates with several isomeric forms.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Dimerization
  • Lithium / chemistry*
  • Magnetic Resonance Spectroscopy
  • Molecular Structure
  • Oxazolidinones / chemistry*
  • Solutions

Substances

  • Oxazolidinones
  • Solutions
  • Lithium