Computational Study of the Mechanism and Selectivity of Palladium-Catalyzed Propargylic Substitution with Phosphorus Nucleophiles

2012 ◽  
Vol 18 (39) ◽  
pp. 12424-12436 ◽  
Author(s):  
J. Oscar C. Jiménez-Halla ◽  
Marcin Kalek ◽  
Jacek Stawinski ◽  
Fahmi Himo
Keyword(s):  
Computational Study ◽  
Palladium Catalyzed ◽  
Propargylic Substitution

Computational Study of the Palladium-Catalyzed Carbonylative Synthesis of Aromatic Acid Chlorides: The Synergistic Effect of Pt Bu3 and CO on Reductive Elimination

2016 ◽  
Vol 22 (42) ◽  
pp. 15107-15118 ◽  
Author(s):  
Jeffrey S. Quesnel ◽  
Salvador Moncho ◽  
Kai E. O. Ylijoki ◽  
Gerardo Martin Torres ◽  
Edward N. Brothers ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Computational Study ◽  
Reductive Elimination ◽  
Aromatic Acid ◽  
Acid Chlorides ◽  
Palladium Catalyzed

Mechanism and origins of stereo- and enantioselectivities of palladium-catalyzed hydroamination of racemic internal allenes via dynamic kinetic resolution: a computational study

2020 ◽  
Vol 7 (12) ◽  
pp. 1502-1511 ◽  
Author(s):  
Zhenzhen Wu ◽  
Mei Zhang ◽  
Yu Shi ◽  
Genping Huang
Keyword(s):  
Dft Calculations ◽  
Kinetic Resolution ◽  
Computational Study ◽  
Dynamic Kinetic Resolution ◽  
Palladium Catalyzed

DFT calculations were performed to investigate the Pd-catalyzed hydroamination of racemic internal allenes with pyrazoles.

Mechanistic Insight into Palladium-Catalyzed Carbocyclization-Functionalization of Bisallene: A Computational Study

ChemCatChem ◽  
2019 ◽  
Vol 11 (4) ◽  
pp. 1228-1237 ◽  
Author(s):  
Jing Zhang ◽  
Chunhui Shan ◽  
Kang Lv ◽  
Lei Zhu ◽  
Yuanyuan Li ◽  
...  
Keyword(s):  
Computational Study ◽  
Mechanistic Insight ◽  
Palladium Catalyzed ◽  
Insight Into

scholarly journals Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C–H activation of anilines and C–O insertion of epoxides

2020 ◽  
Vol 11 (27) ◽  
pp. 7260-7265
Author(s):  
Raju S. Thombal ◽  
Taisiia Feoktistova ◽  
Gisela A. González-Montiel ◽  
Paul H.-Y. Cheong ◽  
Yong Rok Lee
Keyword(s):  
Computational Study ◽  
Palladium Catalyzed ◽  
Hydroxy Compounds

The combined experimental and computational study on palladium-catalyzed regioselective C–H functionalization of O-coordinating directing groups with epoxides is described.

Palladium-Catalyzed Enantioselective Arylation of Aryl Sulfenate Anions: A Combined Experimental and Computational Study

2017 ◽  
Vol 139 (24) ◽  
pp. 8337-8345 ◽  
Author(s):  
Tiezheng Jia ◽  
Mengnan Zhang ◽  
Samuel P. McCollom ◽  
Ana Bellomo ◽  
Sonia Montel ◽  
...  
Keyword(s):  
Computational Study ◽  
Palladium Catalyzed
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