An efficient low-temperature route to polycyclic isoquinoline salt synthesis via C-H activation with [Cp*MCl2]2 (M = Rh, Ir)

J Am Chem Soc. 2008 Sep 17;130(37):12414-9. doi: 10.1021/ja802415h. Epub 2008 Aug 21.

Abstract

Bi-, tri-, and tetracyclic isoquinoline salts were readily synthesized in excellent yields at room temperature from readily available starting materials after three reaction steps. Aromatic C-H activation was first promoted by sodium acetate with [Cp*MCl2]2 (M = Rh, Ir) at room temperature to form cyclometalated compounds. Dimethylacetylenedicarboxylate was then found to insert into the metal-carbon bonds of the cyclometalated compounds. Finally, the insertion compounds underwent oxidative coupling to form the desired isoquinoline salts and regenerate [Cp*MCl2]2. All of the intermediate compounds following C-H activation, alkyne insertion, and oxidative coupling were fully characterized, including the determination of X-ray structures in several cases, and the results shed light on the overall mechanism. Moreover, it was possible to synthesize the isoquinoline salts from readily available starting materials using one-pot procedures; thus, this work provides a novel, efficient method for metal-mediated synthesis of heterocycles.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Cold Temperature
  • Crystallography, X-Ray
  • Iridium / chemistry*
  • Isoquinolines / chemical synthesis*
  • Magnetic Resonance Spectroscopy / methods
  • Organometallic Compounds / chemistry
  • Rhodium / chemistry*

Substances

  • Isoquinolines
  • Organometallic Compounds
  • Iridium
  • Rhodium