Boosting Palladium-Catalyzed Aryl–Nitro Bond Activation Reaction by Understanding the Electronic, Electrostatic, and Polarization Effect: A Computational Study from a Basic Understanding to Ligand Design

Author(s):  
Yumiao Ma ◽  
Aqeel A. Hussein ◽  
Zhaohong Wang
2013 ◽  
Vol 136 (1) ◽  
pp. 344-355 ◽  
Author(s):  
Yun-Fang Yang ◽  
Gui-Juan Cheng ◽  
Peng Liu ◽  
Dasheng Leow ◽  
Tian-Yu Sun ◽  
...  

Author(s):  
Kun-Long Song ◽  
Bin Wu ◽  
Wan-Er Gan ◽  
Wan-Chun Yang ◽  
Xiao-Bing Chen ◽  
...  

A palladium-catalyzed carbonylative C–C bond activation reaction of cyclobutanones is reported, and it affords a variety of indanones bearing ester or amide groups using phenyl formate and benzene-1,3,5-triyl triformate as CO surrogates.


2017 ◽  
Author(s):  
Haibo Ge ◽  
Lei Pan ◽  
Piaoping Tang ◽  
Ke Yang ◽  
Mian Wang ◽  
...  

Transition metal-catalyzed selective C–H bond functionalization enabled by transient ligands has become an extremely attractive topic due to its economical and greener characteristics. However, catalytic pathways of this reaction process on unactivated sp<sup>3</sup> carbons of reactants have not been well studied yet. Herein, detailed mechanistic investigation on Pd-catalyzed C(sp<sup>3</sup>)–H bond activation with amino acids as transient ligands has been systematically conducted. The theoretical calculations showed that higher angle distortion of C(sp2)-H bond over C(sp3)-H bond and stronger nucleophilicity of benzylic anion over its aromatic counterpart, leading to higher reactivity of corresponding C(sp<sup>3</sup>)–H bonds; the angle strain of the directing rings of key intermediates determines the site-selectivity of aliphatic ketone substrates; replacement of glycine with β-alanine as the transient ligand can decrease the angle tension of the directing rings. Synthetic experiments have confirmed that β-alanine is indeed a more efficient transient ligand for arylation of β-secondary carbons of linear aliphatic ketones than its glycine counterpart.<br><br>


2021 ◽  
Vol 86 (3) ◽  
pp. 2682-2695
Author(s):  
Tanmayee Nanda ◽  
Pragati Biswal ◽  
Bedadyuti Vedvyas Pati ◽  
Shyam Kumar Banjare ◽  
Ponneri Chandrababu Ravikumar

Synlett ◽  
2021 ◽  
Author(s):  
Habibur Rahaman ◽  
Brindaban Roy ◽  
Somjit Hazra ◽  
Biplab Mondal

Abstract: A one pot direct synthesis of xanthine and uric acid derivates is reported. This simple yet efficient methodology illustrates concurrent formation of two C-N bonds using CuBr2 as catalyst and one of those C-N bonds is formed by uracil C6-H bond activation.


Author(s):  
Xiao‐Bing Chen ◽  
Li Li ◽  
Wan‐Chun Yang ◽  
Kun‐Long Song ◽  
Bin Wu ◽  
...  

1990 ◽  
Vol 385 (2) ◽  
pp. 297-306 ◽  
Author(s):  
Tetsuro Jintoku ◽  
Yuzo Fujiwara ◽  
Itaru Kawata ◽  
Tomio Kawauchi ◽  
Hiroshi Taniguchi

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