The CH-π interactions of methyl ethers as a model for carbohydrate-N-heteroarene interactions

Org Lett. 2014 Oct 3;16(19):5064-7. doi: 10.1021/ol502418k. Epub 2014 Sep 19.

Abstract

CH-π interactions have been cited as an important contributor to carbohydrate recognition. To determine whether N-heterocycles form stronger CH-π interactions, the interactions of methyl ether groups with heterocyclic and nonheterocyclic aromatic surfaces were studied. Both experimental and computational experiments found that N-heterocyclic aromatic surfaces formed stronger interactions. This enhancement was attributed to attractive dipole-dipole interactions between the methyl ether C-O bond and the N-heterocyclic aromatic dipole.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Carbohydrates / chemistry*
  • Methyl Ethers / chemistry*
  • Models, Molecular*
  • Molecular Structure

Substances

  • Carbohydrates
  • Methyl Ethers