Experimental and Computational Studies on the Directing Ability of Chalcogenoethers in Palladium‐Catalyzed Atroposelective C–H Olefination and Allylation

2022 ◽  
Author(s):  
Gang Liao ◽  
Tao Zhang ◽  
Liang Jin ◽  
Bing-Jie Wang ◽  
Cheng-Kai Xu ◽  
...  
Keyword(s):  
Computational Studies ◽  
Palladium Catalyzed

Intermolecular C–H Amidation of Alkenes with Carbon Monoxide and Azides via Tandem Palladium Catalysis

Synthesis ◽  
2021 ◽  
Author(s):  
Zheng-Yang Gu ◽  
Yang Wu ◽  
Feng Jin ◽  
Bao Xiaoguang ◽  
Ji-Bao Xia
Keyword(s):  
Carbon Monoxide ◽  
Palladium Catalysis ◽  
Computational Studies ◽  
Organic Azides ◽  
Reaction Proceeds ◽  
Palladium Catalyzed ◽  
Directing Group ◽  
And Control

An atom- and step-economic intermolecular multi-component palladium-catalyzed C–H amidation of alkenes with carbon monoxide and organic azides has been developed for the synthesis of alkenyl amides. The reaction proceeds efficiently without an ortho-directing group on the alkene substrates. Nontoxic dinitrogen is generated as the sole by-product. Computational studies and control experiments have revealed that the reaction takes place via an unexpected mechanism by tandem palladium catalysis.

Palladium-Catalyzed Diorganozinc Conjugate Additions to Enones: Preparative and Computational Studies

2013 ◽  
Vol 2013 (13) ◽  
pp. 2621-2626 ◽  
Author(s):  
Paula Lorenzo ◽  
José M. Aurrecoechea ◽  
Angel R. de Lera ◽  
Rosana Álvarez
Keyword(s):  
Computational Studies ◽  
Conjugate Additions ◽  
Palladium Catalyzed

scholarly journals Palladium-Catalyzed C8-Selective C–H Arylation of Quinoline N-Oxides: Insights into the Electronic, Steric, and Solvation Effects on the Site Selectivity by Mechanistic and DFT Computational Studies

ACS Catalysis ◽  
2014 ◽  
Vol 5 (1) ◽  
pp. 167-175 ◽  
Author(s):  
David E. Stephens ◽  
Johant Lakey-Beitia ◽  
Abdurrahman C. Atesin ◽  
Tülay A. Ateşin ◽  
Gabriel Chavez ◽  
...  
Keyword(s):  
Computational Studies ◽  
Solvation Effects ◽  
Site Selectivity ◽  
Palladium Catalyzed

Pd-catalyzed intramolecular sequential Heck cyclization and oxidation reactions: a facile pathway for the synthesis of substituted cycloheptenone evaluated using computational studies

2017 ◽  
Vol 41 (1) ◽  
pp. 278-284 ◽  
Author(s):  
Jayanta K. Ray ◽  
Sunanda Paul ◽  
Paramita Ray ◽  
Raju Singha ◽  
Davuluri Yogeswara Rao ◽  
...  
Keyword(s):  
Theoretical Approach ◽  
Computational Studies ◽  
Oxidation Reactions ◽  
Heck Cyclization ◽  
Palladium Catalyzed

A synthetic and theoretical approach towards the synthesis of cycloheptenone via palladium-catalyzed 7-exo-trig cyclization followed by the oxidation of cyclized alcohol.

Using Mechanistic and Computational Studies To Explain Ligand Effects in the Palladium-Catalyzed Aerobic Oxidation of Alcohols

2005 ◽  
Vol 127 (23) ◽  
pp. 8499-8507 ◽  
Author(s):  
Mitchell J. Schultz ◽  
Ryan S. Adler ◽  
Wiktor Zierkiewicz ◽  
Timofei Privalov ◽  
Matthew S. Sigman
Keyword(s):  
Aerobic Oxidation ◽  
Computational Studies ◽  
Ligand Effects ◽  
Oxidation Of Alcohols ◽  
Palladium Catalyzed

scholarly journals Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: experimental and computational studies

2016 ◽  
Vol 7 (9) ◽  
pp. 6141-6152 ◽  
Author(s):  
Youhei Takeda ◽  
Akinobu Kuroda ◽  
W. M. C. Sameera ◽  
Keiji Morokuma ◽  
Satoshi Minakata
Keyword(s):  
Ring Opening ◽  
Computational Studies ◽  
Ring Opening Reaction ◽  
Palladium Catalyzed

A palladium catalyzed regioselective borylative ring-opening reaction of 2-arylaziridines to give β-amino-β-arylethylborates was developed.

Palladium-Catalyzed Borylation of Aryl Chlorides: Scope, Applications, and Computational Studies

2007 ◽  
Vol 46 (28) ◽  
pp. 5359-5363 ◽  
Author(s):  
Kelvin L. Billingsley ◽  
Timothy E. Barder ◽  
Stephen L. Buchwald
Keyword(s):  
Computational Studies ◽  
Aryl Chlorides ◽  
Palladium Catalyzed
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