A Theoretical Study of the Heck Reaction: N-Heterocyclic Carbene versus Phosphine Ligands

2007 ◽  
Vol 26 (6) ◽  
pp. 1317-1324 ◽  
Author(s):  
Ming-Tsung Lee ◽  
Hon Man Lee ◽  
Ching-Han Hu
Keyword(s):  
Heck Reaction ◽  
Theoretical Study ◽  
Phosphine Ligands

Theoretical Study on Catalyst Activation of Palladacycles in Heck Reaction

2008 ◽  
Vol 26 (2) ◽  
pp. 358-362 ◽  
Author(s):  
Chen WANG ◽  
Yao FU ◽  
Zhe LI ◽  
Qing-Xiang GUO
Keyword(s):  
Heck Reaction ◽  
Theoretical Study ◽  
Catalyst Activation

scholarly journals An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands

2020 ◽  
Vol 49 (16) ◽  
pp. 5312-5322 ◽  
Author(s):  
Schirin Hanf ◽  
Annie L. Colebatch ◽  
Philipp Stehr ◽  
Raúl García-Rodríguez ◽  
Evamarie Hey-Hawkins ◽  
...  
Keyword(s):  
Computational Methods ◽  
Theoretical Study ◽  
Phosphine Ligands

The donor properties of a range of multidentate 2-pyridyl-phosphines were evaluated using different experimental and computational methods.

scholarly journals Theoretical Study on the Catalytic Cycle and Ligands Effect for the Pd(II)-Catalyzed Heck Reaction

2015 ◽  
Vol 16 (0) ◽  
pp. 30-38
Author(s):  
Shohei Sanada ◽  
Takaaki Kuroda ◽  
Michinori Sumimoto ◽  
Kenji Hori
Keyword(s):  
Heck Reaction ◽  
Theoretical Study ◽  
Catalytic Cycle

A Study of the Heck Reaction in Non-Polar Hydrocarbon Solvents and in Supercritical Carbon Dioxide

2007 ◽  
Vol 60 (8) ◽  
pp. 566 ◽  
Author(s):  
Jin-Kyun Lee ◽  
Rachel M. Williamson ◽  
Andrew B. Holmes ◽  
Edward J. Bush ◽  
Ian F. McConvey
Keyword(s):  
Butyl Acrylate ◽  
Heck Reaction ◽  
Supercritical Co2 ◽  
Phosphine Ligands ◽  
Triphenyl Phosphite ◽  
Heck Reactions ◽  
Polar Solvents ◽  
Phosphorus Ligands ◽  
Hydrocarbon Solvents ◽  
Sterically Demanding

The effects of electronic and steric properties of phosphorus ligands on Heck reactions in supercritical CO2 and non-polar hydrocarbon solvents were studied. In Heck reactions between iodobenzene and butyl acrylate, higher yields were obtained with less electron-rich phosphine ligands. This trend was also observed with the electron-poor triphenyl phosphite. A range of sterically demanding phosphites were then investigated. Biphenyl-containing phosphites 8 and 13 were found to be highly effective. In the Heck reaction between the less-reactive bromobenzene and butyl acrylate, the bulky, electron-rich tri-tert-butylphosphine ligand produced the best yield. These results emphasize the importance of both electronic and steric properties of phosphorus ligands in the Heck reaction in non-polar solvents.

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