Electrophile-integrating Smiles rearrangement provides previously inaccessible C4'-O-alkyl heptamethine cyanine fluorophores

Org Lett. 2015 Jan 16;17(2):302-5. doi: 10.1021/ol503398f. Epub 2015 Jan 6.

Abstract

New synthetic methods to rapidly access useful fluorophores are needed to advance modern molecular imaging techniques. A new variant of the classical Smiles rearrangement is reported that enables the efficient synthesis of previously inaccessible C4'-O-alkyl heptamethine cyanines. The key reaction involves N- to O-transposition with selective electrophile incorporation on nitrogen. A representative fluorophore exhibits excellent resistance to thiol nucleophiles, undergoes productive bioconjugation, and can be used in near-IR fluorescence imaging applications.

Publication types

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

MeSH terms

  • Carbocyanines / chemical synthesis*
  • Carbocyanines / chemistry*
  • Fluorescent Dyes / chemical synthesis*
  • Fluorescent Dyes / chemistry
  • Ionophores / chemistry
  • Molecular Structure
  • Nitrogen / chemistry
  • Oxygen / chemistry
  • Spectroscopy, Near-Infrared / methods

Substances

  • Carbocyanines
  • Fluorescent Dyes
  • Ionophores
  • Nitrogen
  • Oxygen