scholarly journals Mechanism of Side Reactions in Alkane CH Bond Functionalization by Diazo Compounds Catalyzed by Ag and Cu Homoscorpionate Complexes-A DFT Study

ChemCatChem ◽  
2011 ◽  
Vol 3 (10) ◽  
pp. 1646-1652 ◽  
Author(s):  
Ataualpa A. C. Braga ◽  
Ana Caballero ◽  
Juan Urbano ◽  
M. Mar Diaz-Requejo ◽  
Pedro J. Pérez ◽  
...  
Keyword(s):  
Dft Study ◽  
Diazo Compounds ◽  
Side Reactions ◽  
Bond Functionalization

scholarly journals Recent Advances in Palladium-Catalyzed Bridging C–H Activation by Using Alkenes, Alkynes or Diazo Compounds as Bridging Reagents

Synthesis ◽  
2020 ◽  
Vol 53 (02) ◽  
pp. 238-254
Author(s):  
Fulin Zhang ◽  
Luoting Xin ◽  
Saihu Liao ◽  
Xueliang Huang ◽  
Yinghua Yu
Keyword(s):  
Bond Distance ◽  
Short Review ◽  
Diazo Compounds ◽  
Bond Functionalization ◽  
Migratory Insertion ◽  
Intramolecular Reactions ◽  
Palladium Catalyzed ◽  
Direct Functionalization ◽  
Intermolecular Reactions ◽  
Metal Catalyzed

AbstractTransition-metal-catalyzed direct inert C–H bond functionalization has attracted much attention over the past decades. However, because of the high strain energy of the suspected palladacycle generated via C–H bond palladation, direct functionalization of a C–H bond less than a three-bond distance from a catalyst center is highly challenging. In this short review, we summarize the advances on palladium-catalyzed bridging C–H activation, in which an inert proximal C–H bond palladation is promoted by the elementary step of migratory insertion of an alkene, an alkyne or a metal carbene intermediate.1 Introduction2 Palladium-Catalyzed Alkene Bridging C–H Activation2.1 Intramolecular Reactions2.2 Intermolecular Reactions3 Palladium-Catalyzed Alkyne Bridging C–H Activation3.1 Intermolecular Reactions3.2 Intramolecular Reactions4 Palladium-Catalyzed Carbene Bridging C–H Activation5 Conclusion and Outlook

Rhodium-catalyzed triazole-directed C–H bond functionalization of arenes with diazo compounds

2018 ◽  
Vol 16 (43) ◽  
pp. 8191-8195 ◽  
Author(s):  
Huanhong Wang ◽  
Xiaofei Yi ◽  
Yanli Cui ◽  
Wanzhi Chen
Keyword(s):  
Diazo Compounds ◽  
Bond Functionalization ◽  
Alkylation Reactions

Rhodium(iii)-catalyzed alkylation reactions of arenes through triazole directed C–H activation that lead to a number of dialkylated and monoalkylated triazoles are described.

scholarly journals Reaction Mechanism of 2-Amido-2-Aminoacetic Acid-Formation from Amides and 2-Iminoacetic Acid: A DFT-study and Wavefunction Analysis

2021 ◽  
Author(s):  
Georg Dazinger
Keyword(s):  
Reaction Mechanism ◽  
Dft Study ◽  
Acid Formation ◽  
Side Reactions ◽  
Aminoacetic Acid ◽  
Diamino Acid ◽  
Wavefunction Analysis ◽  
Acid Esters

<p> Based on a study of Wei Zeng et. al.[7], where the synthesis of <i>gem</i>-diamino acid esters from 2-iminoacetic acid esters and amides, with various N- and C-substituents, respectively, is reported, a modeled reaction, where the latter substituents were replaced by H, was simulated by means of DFT. A reasonable reaction mechanism was found for the formation of 2-amido-2-aminoacetic acid from formamide and 2-iminoacetic acid. Moreover, possible side reactions were simulated and discussed.</p>

DFT study on the side reactions of Aldol condensation on MgO in the production of 1,3-butadiene from ethanol

2021 ◽  
Vol 543 ◽  
pp. 148771
Author(s):  
Yingzhe Yu ◽  
Hai Chen ◽  
Yantao Hu ◽  
Minhua Zhang
Keyword(s):  
Aldol Condensation ◽  
Dft Study ◽  
Side Reactions

Mechanistic study on gold(I)-catalyzed crosscoupling of diazo compounds: A DFT study

2017 ◽  
Vol 118 (14) ◽  
pp. e25581
Author(s):  
Yan Li ◽  
Ruixue Tian ◽  
Changhai Liang
Keyword(s):  
Dft Study ◽  
Diazo Compounds ◽  
Mechanistic Study

scholarly journals Reaction Mechanism of 2-Amido-2-Aminoacetic Acid-Formation from Amides and 2-Iminoacetic Acid: A DFT-study and Wavefunction Analysis

2020 ◽  
Author(s):  
Georg Dazinger
Keyword(s):  
Reaction Mechanism ◽  
Dft Study ◽  
Acid Formation ◽  
Side Reactions ◽  
Aminoacetic Acid ◽  
Diamino Acid ◽  
Wavefunction Analysis ◽  
Acid Esters

<p> Based on a study of Wei Zeng et. al.[7], where the synthesis of <i>gem</i>-diamino acid esters from 2-iminoacetic acid esters and amides, with various N- and C-substituents, respectively, is reported, a modeled reaction, where the latter substituents were replaced by H, was simulated by means of DFT. A reasonable reaction mechanism was found for the formation of 2-amido-2-aminoacetic acid from formamide and 2-iminoacetic acid. Moreover, possible side reactions were simulated and discussed.</p>

scholarly journals Mechanism investigation for anoin-assisted nickel catalyzed C–F bond functionalization reaction: a DFT study

2018 ◽  
Vol 48 (7) ◽  
pp. 736-742 ◽  
Author(s):  
Zhen Zeng ◽  
Tao Zhang ◽  
Xiaoyu Yue ◽  
Hua Zhang ◽  
Ruopeng Bai ◽  
...  
Keyword(s):  
Dft Study ◽  
Bond Functionalization ◽  
Functionalization Reaction

Iron-catalysed chemo- and ortho-selective C-H bond functionalization of phenols with -aryl--diazoacetates

2021 ◽  
Author(s):  
Zhunzhun Yu ◽  
Guanghui Li ◽  
Junliang Zhang ◽  
Lu Liu
Keyword(s):  
Catalytic Activity ◽  
Diazo Compounds ◽  
Iron Porphyrin ◽  
Bond Functionalization

Herein we present a novel iron-catalyzed chemo- and regio-selective ortho C-H bond functionalization of phenols and naphthols with diazo compounds. In this transformation, iron porphyrin exhibits specificly catalytic activity, which...

Mechanistic Insights into Nickel- and Gold-Catalyzed Diastereoselective [4 + 2 + 1] Cycloadditions between Dienynes and Diazo Compounds: A DFT Study

2022 ◽  
Author(s):  
Kang Lv ◽  
Xiaoguang Bao
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Dft Study ◽  
Diazo Compounds ◽  
Functional Theory ◽  
Mechanistic Understanding

Density functional theory (DFT) calculations were performed to gain an in-depth mechanistic understanding on the Ni(0)- and Au(I)-catalyzed diastereoselective [4 + 2 + 1] cycloadditions between dienynes and diazo compounds....

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