A Pd-catalyzed one-pot cascade consisting of C-C/C-O/N-N bond formation to access benzoxazine fused 1,2,3-triazoles

Org Biomol Chem. 2021 Nov 25;19(45):9936-9945. doi: 10.1039/d1ob01539g.

Abstract

A Pd-catalyzed one-pot cascade consisting of C-C/C-O/N-N bond formation to access clinically important fused 1,2,3-triazoles using N-aryl-α-(tosylhydrazone)acetamides with isocyanide has been developed. Besides, various substitutions on the N-aryl part of acetamides along with different isocyanides show good compatibility in this protocol. Next, two plausible mechanistic routes were proposed; however, one of the routes was more favourable which involved the formation of a benzoxazine ring first followed by the realization of a triazole ring. Additionally, the more favourable mechanistic route was investigated using DFT studies which suggests that the formations of a Pd(II)-isocyanide complex and α-diazoimino intermediates were key steps in the catalytic cycle.

Publication types

  • Research Support, Non-U.S. Gov't