General Synthesis of 3-Azabicyclo[3.1.1]heptanes and Evaluation of Their Properties as Saturated Isosteres

Angew Chem Int Ed Engl. 2023 Sep 25;62(39):e202304246. doi: 10.1002/anie.202304246. Epub 2023 Jun 15.

Abstract

A general approach to 3-azabicyclo[3.1.1]heptanes by reduction of spirocyclic oxetanyl nitriles was developed. The mechanism, scope, and scalability of this transformation were studied. The core was incorporated into the structure of the antihistamine drug Rupatidine instead of the pyridine ring, which led to a dramatic improvement in physicochemical properties.

Keywords: Bicyclo[1.1.1]Pentane; Bicyclo[3.1.1]Heptane; Isosteres; Oxetanes; Spirocycles.