Facile Synthetic Route to [3.n]Thiacyclophanes through Ring‐Closing Metathesis and their Structural Studies

Abstract

We report a useful synthetic strategy to assemble constrained [3.n] thiacyclophanes using Grignard reaction and Ti(O i Pr) 4 assisted ring‐closing metathesis (RCM). This method is viable to access para, metapara, and meta isomers of thiacyclophanes. The structures of thiacyclophanes were confirmed unambiguously by single‐crystal X‐ray diffraction studies and compared with computationally optimized structures. It is implied that out of four methods (ab initio and DFT), MP2/6‐31G (d,p) is reasonably a better method for predicting structural parameters for this class of thiacyclophanes.