Solvent effects on barrier to rotation of enaminonitriles using inversion transfer (1)H NMR spectroscopy and FTIR spectroscopy

J Org Chem. 2002 May 31;67(11):3937-40. doi: 10.1021/jo025516a.

Abstract

The barrier to rotation and hydrogen bonding interactions of 2,2-dicyano-1-(N,N'-dimethylamino)vinylbenzene (1) were studied in a range of solvents. The barrier to rotation of 1 in chloroform was 14.8 kcal/mol and increased by 1.7 kcal/mol in a protic solvent, trifluoroethanol. FTIR studies showed a shift in the cyano stretch of 1 to a higher wavenumber in trifluoroethanol, which is consistent with 1 participating in a hydrogen bonding interaction at the vinyl carbon (C(v)) of the enaminonitrile group.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amides / chemistry
  • Amines / chemistry*
  • Chloroform / chemistry
  • Hydrogen Bonding
  • Magnetic Resonance Spectroscopy / methods
  • Molecular Conformation
  • Nitriles / chemistry*
  • Solvents / chemistry
  • Spectroscopy, Fourier Transform Infrared
  • Thermodynamics

Substances

  • Amides
  • Amines
  • Nitriles
  • Solvents
  • Chloroform