4.7 Article

Mechanism of C-P bond formation via Pd-catalyzed decarbonylative phosphorylation of amides: insight into the chemistry of the second coordination sphere

Journal

CHEMICAL COMMUNICATIONS
Volume 56, Issue 1, Pages 113-116

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cc07923h

Keywords

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Funding

  1. NSFC [21720102006, 21273140, 21471092]
  2. One Hundred-Talent Program of Shanxi Province
  3. OIT Program
  4. Shanxi 1331 Project'' Engineering Research Center [PT201807]
  5. Shanxi 1331KIRT
  6. High-Performance Computing Center of Shanxi University
  7. University of Colorado Denver

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We report on the basis of DFT computations a plausible and detailed reaction mechanism for the first Pd-catalyzed decarbonylative phosphorylation of amides forming C-P bonds, which reveals, among other things, crucial events in the second coordination sphere, including ion pair and hydrogen bonding interactions as well as proton transfer.

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