Dearomative dimerization of quinolines and their skeletal rearrangement to indoles triggered by single-electron transfer

30 May 2024, Version 3
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Dearomatization of two-dimensional (2D) planar aromatic feedstocks enables the introduction of three-dimensional (3D) vectors to new molecular scaffolds, vastly expanding the chemical space for drug discovery. Here, we demonstrate that photoinduced single-electron reduction of quinolines under polysulfide anion photocatalysis triggers dearomative dimerization and an unprecedented skeletal rearrangement. In the presence of excess formate as the stoichiometric reductant, a complex polyheterocyclic hybrid of a 2,5-methanobenzo[b]azepine and a tetrahydroisoquinoline is formed in a net-reductive manner, whereas in the presence of a trialkylamine instead of formate, sequential dimerization and skeletal rearrangement occurs to afford 4-(3-indolylmethyl)quinolines in a redox-neutral manner. The remarkable way in which the additive dictates the reaction course showcases the unique tunability of polysulfide anion mediated redox photocatalysis. These observations enabled the design of a net-reductive skeletal rearrangement of 4-arylquinolines to 3-(arylmethyl)indoles. Detailed mechanistic investigations reveal that this umpolung transformation from electron-deficient quinolines to electron-rich indoles is mediated via a 1,2-aryl migration/ring-contraction sequence, as opposed to the more commonly invoked neophyl-like rearrangement.

Keywords

polysulfide anions
dearomatization
skeletal rearrangement
quinolines
indoles
radicals

Supplementary materials

Title
Description
Actions
Title
Supplementary Information
Description
Experimental procedures, characterization data of compounds, and calculation details.
Actions

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.