Case for Lithium Tetramethylpiperidide-Mediated Ortholithiations: Reactivity and Mechanisms

J Am Chem Soc. 2018 Apr 11;140(14):4877-4883. doi: 10.1021/jacs.8b00590. Epub 2018 Mar 28.

Abstract

Rate and mechanistic studies of ortholithiations by lithium 2,2,6,6-tetramethylpiperidide focus on four arenes: 1,4-bis(trifluoromethyl)benzene, 1,3-bis(trifluoromethyl)benzene, 1,3-dimethoxybenzene, and 4,4-dimethyl-2-phenyl-2-oxazoline. Metalations occur via substrate-dependent combinations of monosolvated monomer, disolvated monomer, and tetrasolvated dimer (triple ions). Density functional theory computational studies augment the experimental data. We discuss the challenges presented by shifting dimer-monomer proportions in determining the observable reaction orders and our mathematical treatment of such shifting in reactant structure.

Publication types

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

MeSH terms

  • Lithium Compounds / chemical synthesis*
  • Lithium Compounds / chemistry
  • Molecular Structure
  • Organometallic Compounds / chemical synthesis*
  • Organometallic Compounds / chemistry

Substances

  • Lithium Compounds
  • Organometallic Compounds