Fused 1,2-Diboraoxazoles Based on closo-Decaborate Anion-Novel Members of Diboroheterocycle Class

The novel members of the 1,2-diboraoxazoles family have been obtained. In the present work, we have carried out the intramolecular ring-closure reaction of borylated iminols of general type [B10H9N=C(OH)R](-) (R = Me, Et, Pr-n, Pr-i, Bu-t, Ph, 4-Cl-Ph). This process is conducted in mild conditions with 83-87% yields. The solid-state structures of two salts of 1,2-diboraoxazoles were additionally investigated by X-ray crystallography. In addition, the phenomena of bonding interactions in the 1,2-diboraoxazole cycles have been theoretically studied by the Quantum Theory of Atoms in Molecules analysis. Several local and integral topological properties of the electron density involved in these interactions have been computed.

Automated summary

The novel members of the 1,2-diboraoxazoles family have been successfully obtained through intramolecular ring-closure reaction with high yields under mild conditions. The solid-state structures of two salts of 1,2-diboraoxazoles were investigated using X-ray crystallography, and bonding interactions within the 1,2-diboraoxazole cycles were studied theoretically using the Quantum Theory of Atoms in Molecules analysis. Various local and integral topological properties of the electron density involved in these interactions were computed.