Use of Unprecedented Intramolecular 1, 3‐Dipolar Cycloaddition Reaction in meso‐Nitrile Oxide‐Containing BODIPYs as a New Pathway for the Preparation of Fused NIR Platforms.

Meso‐nitrile oxide group in 1,7‐Diphenyl‐containing BODIPYs can be involved in highly unusual [3+2] intramolecular cycloaddition reaction with the formation of the dihydrobenzo[d]isoxazole‐containing BODIPYs. Oxidation of these compounds results in the formation of unprecedented either benzisoxazole‐ or benzo[b]azepine‐fused fully conjugated NIR absorbing BODIPYs. The photophysical properties and electronic structures of the target compounds were studied by an array of experimental and theoretical methods. [ABSTRACT FROM AUTHOR]