3,4-Bisthiolated Pyrroles: Concise Construction and Their Electronic Properties

J Org Chem. 2022 Mar 4;87(5):2402-2409. doi: 10.1021/acs.joc.1c02269. Epub 2022 Jan 25.

Abstract

3,4-Bisthiolated pyrroles constitute key cores in pyrrole-based semiconductors, and their electronic properties could be improved by the bisthio groups via the S-effect. Herein, a convenient method for the synthesis of 3,4-bisthiolated pyrroles has been developed through the AlCl3-catalyzed thiolation/cyclization of homopropargylic azides, and cyclic voltammetry and DFT calculations indicated that the desired 3,4-bisthiolated pyrroles had higher HOMO orbital energies and lower band gaps than the parent unsubstituted 2,5-diphenylpyrrole.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis
  • Cyclization
  • Electronics*
  • Molecular Structure
  • Pyrroles*

Substances

  • Pyrroles