Substituent and solvent effects in the 1,3-dipolar cycloadditions for synthesis of anti-influenza agent peramivir and its analog

Tetrahedron ◽  
2019 ◽  
Vol 75 (33) ◽  
pp. 4458-4470
Author(s):  
Chien-Liang Chen ◽  
Tzu-Wei Chiu ◽  
Yung-Wen Chen ◽  
Jim-Min Fang
Keyword(s):  
Solvent Effects ◽  
Dipolar Cycloadditions

scholarly journals Kinetic solvent effects on 1,3-dipolar cycloadditions of benzonitrile oxide

2005 ◽  
Vol 18 (9) ◽  
pp. 908-917 ◽  
Author(s):  
Theo Rispens ◽  
Jan B. F. N. Engberts
Keyword(s):  
Solvent Effects ◽  
Dipolar Cycloadditions

Ab Initio Study of Solvent Effects on Rate of 1,3-Dipolar Cycloadditions of Benzonitrile Oxide and Various Dipolarophiles

2003 ◽  
Vol 2003 (2) ◽  
pp. 91-95 ◽  
Author(s):  
E. Rajaeian ◽  
M. Monajjemi ◽  
M.R. Gholami
Keyword(s):  
Hydrogen Bonding ◽  
Oxygen Atom ◽  
Water Molecule ◽  
Ab Initio ◽  
Solvent Effects ◽  
Transition States ◽  
Molecular Orbital Calculations ◽  
Interaction Energies ◽  
Ab Initio Study ◽  
Dipolar Cycloadditions

Ab initio molecular orbital calculations have been used to investigate the structures and the transition states of 1,3-dipolar cycloadditions between benzonitrile oxide with ethylene, cyclopentene, acrylonitrile and tetracyanoethylene in heptane and water: calculations reveal enhanced hydrogen bonding of a water molecule to the transition states for the cycloaddition 1,3-dipolar of reaction of benzonitrile oxide with cyclopentene, the optimal interaction energies being 0.7 kcal/mol more favourable for hydrogen bonding to the oxygen atom in the transition states than for the reactants.

In-Plane Aromaticity in 1,3-Dipolar Cycloadditions. Solvent Effects, Selectivity, and Nucleus-Independent Chemical Shifts

1999 ◽  
Vol 121 (28) ◽  
pp. 6737-6746 ◽  
Author(s):  
Fernando P. Cossío ◽  
Iñaki Morao ◽  
Haijun Jiao ◽  
Paul von Ragué Schleyer
Keyword(s):  
Solvent Effects ◽  
Chemical Shifts ◽  
Dipolar Cycloadditions

Kinetic Solvent Effects in Organic Reactions

2017 ◽  
Author(s):  
Belinda Slakman ◽  
Richard West
Keyword(s):  
Solvent Effect ◽  
Reaction Kinetics ◽  
Computational Methods ◽  
High Throughput ◽  
Kinetic Modeling ◽  
Solvent Effects ◽  
Reaction Rates ◽  
Prior Work ◽  
Solvent Phase ◽  
High Throughput Manner

<div> <div> <div> <p>This article reviews prior work studying reaction kinetics in solution, with the goal of using this information to improve detailed kinetic modeling in the solvent phase. Both experimental and computational methods for calculating reaction rates in liquids are reviewed. Previous studies, which used such methods to determine solvent effects, are then analyzed based on reaction family. Many of these studies correlate kinetic solvent effect with one or more solvent parameters or properties of reacting species, but it is not always possible, and investigations are usually done on too few reactions and solvents to truly generalize. From these studies, we present suggestions on how best to use data to generalize solvent effects for many different reaction types in a high throughput manner. </p> </div> </div> </div>

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