Copper hydride-mediated electrophilic amidation of vinylarenes with dioxazolones – a computational mechanistic study

2019 ◽  
Vol 48 (38) ◽  
pp. 14337-14346
Author(s):  
Sven Tobisch
Keyword(s):  
Mechanistic Study ◽  
Copper Hydride ◽  
Mechanistic Probe ◽  
Mechanistic View

An in-depth computational mechanistic probe of the CuH-mediated formal hydroamidation of vinylarenes with dioxazolones allowed the substitution of mechanistic hypothesis advanced previously by a computationally verified mechanistic view.

Mechanistic view of Ru-catalyzed C–H bond activation and functionalization: computational advances

2018 ◽  
Vol 47 (20) ◽  
pp. 7552-7576 ◽  
Author(s):  
Chunhui Shan ◽  
Lei Zhu ◽  
Ling-Bo Qu ◽  
Ruopeng Bai ◽  
Yu Lan
Keyword(s):  
Bond Activation ◽  
Theoretical Perspective ◽  
Mechanistic Study ◽  
Bond Functionalization ◽  
Recent Advances ◽  
Mechanistic View

This review summarized recent advances in the mechanistic study of Ru-catalyzed C–H bond functionalization from a theoretical perspective.

A mechanistic study of the addition of alkynes to Brook silenes

2009 ◽  
Vol 87 (1) ◽  
pp. 307-313 ◽  
Author(s):  
Kaarina K Milnes ◽  
Kim M Baines
Keyword(s):  
Reaction Mechanism ◽  
Cycloaddition Reaction ◽  
Convincing Evidence ◽  
Membered Ring ◽  
Mechanistic Study ◽  
Mechanistic Probe

The addition of the alkyne-containing mechanistic probes (trans-2-phenylcyclopropyl)ethyne, (trans,trans-2-methoxy-3-phenylcyclopropyl)ethyne, and (trans,trans-2-methoxy-1-methyl-3-phenylcyclopropyl)ethyne (1a–1c) to a Brook silene 2-(1-adamantyl)-2-trimethylsiloxy-1,1-bis(trimethylsilyl)-1-silene (14) was examined. When alkyne 1a was added to the silene, an ene adduct was observed; however, addition of alkyne 1c to 14 gave a mixture of silacyclo butenes and silacycloheptenes. The regiochemistry of the phenyl and methoxy substituents on the seven-membered ring of the silacycloheptenes provides convincing evidence for the formation of a biradical intermediate along the reaction pathway.Key words: Brook silene, alkyne, cycloaddition, reaction mechanism, mechanistic probe.

Computational mechanistic elucidation of the rare earth metal-mediated cycloamidination of aminoalkenes with nitriles

2018 ◽  
Vol 47 (35) ◽  
pp. 12264-12272 ◽  
Author(s):  
Sven Tobisch
Keyword(s):  
Rare Earth ◽  
Rare Earth Metal ◽  
Earth Metal ◽  
Solid Ground ◽  
Mechanistic Probe ◽  
Mechanistic View ◽  
The Rare Earth

An in-depth computational mechanistic probe of the rare earth metal-mediated cycloamidination of aminoalkenes with nitriles allowed the substitution of mechanistic hypothesis advanced previously by a computationally verified mechanistic view, thus providing solid ground for further rational catalyst improvement.

Mechanistic study of proliferation induced by Angelica sinensis in gastric epithelial cells

2001 ◽  
Vol 120 (5) ◽  
pp. A145-A145
Author(s):  
C CHO ◽  
Y YE ◽  
E LIU ◽  
V SHIN ◽  
N SHAM
Keyword(s):  
Epithelial Cells ◽  
Mechanistic Study ◽  
Angelica Sinensis ◽  
Gastric Epithelial Cells

Mechanistic study on the cardioprotective and chemosensitizing effects of a novel danshensu derivative

Planta Medica ◽  
2014 ◽  
Vol 80 (16) ◽  
Author(s):  
L Wang ◽  
L Shan ◽  
G Cui ◽  
Y Chen ◽  
J li ◽  
...  
Keyword(s):  
Mechanistic Study

Mechanistic Study and Development of Catalytic Reactions of Sm(II)

2018 ◽  
Author(s):  
Sandepan Maity ◽  
Robert Flowers
Keyword(s):  
Molecular Weight ◽  
High Molecular Weight ◽  
Proton Donor ◽  
Catalytic Reactions ◽  
Mechanistic Study ◽  
Mechanistic Studies ◽  
Cyclization Reactions ◽  
Mechanistic Approach ◽  
Donor Source

Despite the broad utility and application of SmI<sub>2</sub>in synthesis, the reagent is used in stoichiometric amounts and has a high molecular weight, resulting in a large amount of material being used for reactions requiring one or more equivalents of electrons. We report mechanistic studies on catalytic reactions of Sm(II) employing a terminal magnesium reductant and trimethyl silyl chloride in concert with a non-coordinating proton donor source. Reactions using this approach permitted reductions with as little as 1 mol% Sm. The mechanistic approach enabled catalysis employing HMPA as a ligand, facilitating the development of catalytic Sm(II) 5-<i>exo</i>-<i>trig </i>ketyl olefin cyclization reactions.

Activated carbon from molasses efficiency for Cr(VI), Pb(II) and Cu(II) adsorption: A mechanistic study

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Activated Carbon ◽  
Phosphoric Acid ◽  
Sugar Industry ◽  
Chemical Activation ◽  
High Surface ◽  
High Surface Area ◽  
Mechanistic Study ◽  
Acid Mixture ◽  
Maximum Adsorption Capacity ◽  
Good Potential

Activated carbon was prepared from molasses, which are natural precursors of vegetable origin resulting from the sugar industry. A simple elaboration process, based on chemical activation with phosphoric acid, was proposed. The final product, prepared by activation of molasses/phosphoric acid mixture in air at 500°C, presented high surface area (more than 1400 m2/g) and important maximum adsorption capacity for methylene blue (625 mg/g) and iodine (1660 mg/g). The activated carbon (MP2(500)) showed a good potential for the adsorption of Cr(VI), Cu(II) and Pb(II) from aqueous solutions. The affinity for the three ions was observed in the following order Cu2+ Cr6+ Pb2+. The process is governed by monolayer adsorption following the Langmuir model, with a correlation coefficient close to unity.

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