Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl–Alkyl Cross-Couplings

2017 ◽  
Vol 82 (4) ◽  
pp. 1996-2003 ◽  
Author(s):  
Avishek Paul ◽  
Mark D. Smith ◽  
Aaron K. Vannucci
Keyword(s):  
Cross Coupling ◽  
Mechanistic Insight ◽  
Insight Into

DFT Studies Provide Mechanistic Insight into Nickel-Catalyzed Cross-Coupling Involving Organoaluminum-Mediated C–O Bond Cleavage

Synlett ◽  
2017 ◽  
Vol 28 (19) ◽  
pp. 2565-2568 ◽  
Author(s):  
Chao Wang ◽  
Masanobu Uchiyama ◽  
Ze-Kun Yang
Keyword(s):  
Density Functional ◽  
Reaction Pathway ◽  
Bond Cleavage ◽  
Cross Coupling ◽  
Reductive Elimination ◽  
Lewis Acidity ◽  
Functional Theory ◽  
Mechanistic Insight ◽  
Insight Into ◽  
Strong Lewis Acidity

Density functional theory (DFT) calculations were performed to examine the reaction pathway of Ni-catalyzed cross-coupling with organoaluminum through C–O bond cleavage. The results indicate that the strong Lewis acidity of organoaluminums significantly facilitates the transmetalation step, but not the oxidative addition or reductive elimination step.

Mechanistic Insight into the Cu-Catalyzed C–S Cross-Coupling of Thioacetate with Aryl Halides: A Joint Experimental–Computational Study

2017 ◽  
Vol 82 (21) ◽  
pp. 11464-11473 ◽  
Author(s):  
Silvia M. Soria-Castro ◽  
Diego M. Andrada ◽  
Daniel A. Caminos ◽  
Juan E. Argüello ◽  
Marc Robert ◽  
...  
Keyword(s):  
Computational Study ◽  
Cross Coupling ◽  
Aryl Halides ◽  
Mechanistic Insight ◽  
Insight Into

Reactivity and mechanistic insight into the cross coupling reaction between isochromans and β-keto esters through C–H bond activation under visible light irradiation

2016 ◽  
Vol 3 (4) ◽  
pp. 486-490 ◽  
Author(s):  
Ming Xiang ◽  
Qing-Yuan Meng ◽  
Xue-Wang Gao ◽  
Tao Lei ◽  
Bin Chen ◽  
...  
Keyword(s):  
Oxygen Atom ◽  
Visible Light ◽  
Visible Light Irradiation ◽  
Bond Activation ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Keto Esters ◽  
Mechanistic Insight ◽  
Cross Coupling Reaction ◽  
Insight Into

The formation of a C(sp3)–C(sp3) bond next to an oxygen atom from two different C–H bonds is realized by oxidative photocatalysis.

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