Understanding theZselectivity of the metal-free intermolecular aminoarylation of alkynes: a DFT study

2019 ◽  
Vol 6 (1) ◽  
pp. 125-133 ◽  
Author(s):  
Huining Bai ◽  
Huimin Zhang ◽  
Yuen Guo ◽  
Hui Chen ◽  
Donghui Wei ◽  
...  
Keyword(s):  
Dft Study ◽  
Title Reaction ◽  
Metal Free

The unusualZselectivity of the title reaction is revealed to be determined by the inherent requirements of dynamic preference of pathways that promise theZ-geometry product, rather than the isomerization of theE-productin situ.

scholarly journals Converting copper sulfide to copper with surface sulfur for electrocatalytic alkyne semi-hydrogenation with water

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yongmeng Wu ◽  
Cuibo Liu ◽  
Changhong Wang ◽  
Yifu Yu ◽  
Yanmei Shi ◽  
...  
Keyword(s):  
Binding Energy ◽  
Noble Metal ◽  
Atomic Hydrogen ◽  
Copper Sulfide ◽  
Low Cost ◽  
Water Electrolysis ◽  
Metal Free ◽  
Copper Nanowire

AbstractElectrocatalytic alkyne semi-hydrogenation to alkenes with water as the hydrogen source using a low-cost noble-metal-free catalyst is highly desirable but challenging because of their over-hydrogenation to undesired alkanes. Here, we propose that an ideal catalyst should have the appropriate binding energy with active atomic hydrogen (H*) from water electrolysis and a weaker adsorption with an alkene, thus promoting alkyne semi-hydrogenation and avoiding over-hydrogenation. So, surface sulfur-doped and -adsorbed low-coordinated copper nanowire sponges are designedly synthesized via in situ electroreduction of copper sulfide and enable electrocatalytic alkyne semi-hydrogenation with over 99% selectivity using water as the hydrogen source, outperforming a copper counterpart without surface sulfur. Sulfur anion-hydrated cation (S2−-K+(H2O)n) networks between the surface adsorbed S2− and K+ in the KOH electrolyte boost the production of active H* from water electrolysis. And the trace doping of sulfur weakens the alkene adsorption, avoiding over-hydrogenation. Our catalyst also shows wide substrate scopes, up to 99% alkenes selectivity, good reducible groups compatibility, and easily synthesized deuterated alkenes, highlighting the promising potential of this method.

In situ construction of phenanthroline-based cationic radical porous hybrid polymers for metal-free heterogeneous catalysis

2021 ◽  
Vol 9 (12) ◽  
pp. 7556-7565
Author(s):  
Guojian Chen ◽  
Yadong Zhang ◽  
Ke Liu ◽  
Xiaoqing Liu ◽  
Lei Wu ◽  
...  
Keyword(s):  
Heterogeneous Catalysis ◽  
Heterogeneous Catalysts ◽  
Hybrid Polymers ◽  
Metal Free ◽  
Oxidation Of Sulfides

Constructing phenanthroline-based cationic radical porous hybrid polymers as versatile metal-free heterogeneous catalysts for both oxidation of sulfides and CO2 conversion.

Amine-functionalized multi-walled carbon nanotubes (EDA-MWCNTs) for electrochemical water splitting reactions

2021 ◽  
Author(s):  
Shankar S. Narwade ◽  
Shivsharan M. Mali ◽  
Bhaskar R. Sathe
Keyword(s):  
Carbon Nanotubes ◽  
Water Splitting ◽  
Metal Free ◽  
Overall Water Splitting ◽  
Amine Functionalized ◽  
Multi Walled Carbon Nanotubes ◽  
Electrochemical Water Splitting ◽  
Walled Carbon Nanotubes

A study on the in situ decoration of ethylenediamine (EDA) on acid functionalized multi-walled carbon nanotubes (O-MWCNTs) for overall water splitting reactions at all pH as an efficient and inexpensive metal-free multifunctional electrocatalyst.

Insertion Reaction of 2-Halo-N-allylanilines with K2S Involving Trisulfur Radical Anion: Synthesis of Benzothiazole Derivatives under Transition-Metal-Free Conditions

Synthesis ◽  
2020 ◽  
Author(s):  
Yan-Wei Zhao ◽  
Shun-Yi Wang ◽  
Xin-Yu Liu ◽  
Tian Jiang ◽  
Weidong Rao
Keyword(s):  
Transition Metal ◽  
Radical Anion ◽  
Radical Cyclization ◽  
Transition Metal Catalysis ◽  
Insertion Reaction ◽  
Metal Catalysis ◽  
Metal Free ◽  
Benzothiazole Derivatives

AbstractA synthesis of benzothiazole derivatives through the reaction of 2-halo-N-allylanilines with K2S in DMF is developed. The trisulfur radical anion S3·–, which is generated in situ from K2S in DMF, initiates the reaction without transition-metal catalysis or other additives. In addition, two C–S bonds are formed and heteroaromatization of benzothiazole is triggered by radical cyclization and H-shift.

scholarly journals Metal-Free Air Oxidation in a Convenient Cascade Approach for the Access to Isoquinoline-1,3,4(2H)-triones

Molecules ◽  
2019 ◽  
Vol 24 (11) ◽  
pp. 2177
Author(s):  
Antonia Di Mola ◽  
Consiglia Tedesco ◽  
Antonio Massa
Keyword(s):  
Heterocyclic Compounds ◽  
Aromatic Ketone ◽  
Primary Amines ◽  
Cascade Process ◽  
Staudinger Reaction ◽  
Caspase Inhibitor ◽  
Air Oxidation ◽  
Metal Free ◽  
Free Air

Herein we describe a very useful application of the readily available trifunctional aromatic ketone methyl-2-(2-bromoacetyl)benzoate in reactions with primary amines. An unexpected in situ air oxidation that follows a cascade process allowed the access to a series of isoquinoline-1,3,4(2H)-triones, a class of heterocyclic compounds of great interest containing an oxygen-rich heterocyclic scaffold. A modification of the original protocol, utilizing a Staudinger reaction in the presence of trimethylphosphine, was necessary for the synthesis of Caspase inhibitor trione with free NH group.

Metal-Free Cycloetherification by in Situ Generated P-Stereogenic α-Diazanium Intermediates: A Convergent Synthesis of Enantiomerically Pure Dihydrobenzooxaphospholes

2017 ◽  
Vol 19 (4) ◽  
pp. 894-897 ◽  
Author(s):  
Shi-Guang Li ◽  
Zhengxu S. Han ◽  
Peter Viereck ◽  
Heewon Lee ◽  
Dmitry Kurouski ◽  
...  
Keyword(s):  
Convergent Synthesis ◽  
Enantiomerically Pure ◽  
Metal Free
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