A General Approach to (Trifluoromethoxy)pyridines: First X‐ray Structure Determinations and Quantum Chemistry Studies

Abstract

Abstract The previously unknown 2‐, 3‐, and 4‐(trifluoromethoxy)pyridines have now become readily accessible by means of an efficient and straightforward large‐scale synthesis. Their regioselective functionalization by organometallic methods has been studied and has afforded new and highly important building blocks for life‐sciences‐oriented research. In addition, the first X‐ray crystallographic structure determinations of (trifluoromethoxy)pyridines have been performed. Lowest‐energy conformations of (trifluoromethoxy)pyridines and (trifluoromethoxy)pyridinium cations were determined by in silico studies.