Programming Rapid Functional Group Diversification into a Solid-State Reaction: Aryl Nitriles for Self-Assembly, Click Reactivity, and Discovery of Coexisting Supramolecular Synthons

Chemistry. 2022 Jul 1;28(37):e202200978. doi: 10.1002/chem.202200978. Epub 2022 May 31.

Abstract

A method to rapidly diversify the molecules formed in organic crystals is introduced, with aryl nitriles playing a novel dual role as both hydrogen-bond acceptors and modifiable organic groups. The discovery of coexisting supramolecular synthons in the same crystal is also described. The general concept is demonstrated by using a bis(aryl nitrile) alkene that undergoes a hydrogen-bond-directed intermolecular [2+2] photodimerization to form a tetra(aryl nitrile)cyclobutane. The product is readily converted by click reactivity to a tetra(aryl tetrazole) and by hydrolysis to a tetra(aryl carboxylic acid). The integration of aryl nitriles into solid-state reactions opens broad avenues to post-modify products formed in crystalline solids for rapid diversification.

Keywords: dimerization; molecular recognition; post-modification; self-assembly; solid-state reactions.

MeSH terms

  • Carboxylic Acids / chemistry
  • Cyclobutanes*
  • Hydrogen
  • Hydrogen Bonding
  • Nitriles* / chemistry

Substances

  • Carboxylic Acids
  • Cyclobutanes
  • Nitriles
  • Hydrogen