Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution

1986 ◽  
Vol 108 (10) ◽  
pp. 2517-2527 ◽  
Author(s):  
Jeffry D. Madura ◽  
William L. Jorgensen
Keyword(s):  
Aqueous Solution ◽  
Monte Carlo ◽  
Ab Initio ◽  
Gas Phase ◽  
Nucleophilic Addition ◽  
Addition Reaction ◽  
Monte Carlo Calculations ◽  
Nucleophilic Addition Reaction

The Synthesis of 2-Oxo-1-Pyrrole Alkyl Propionitrile

2013 ◽  
Vol 716 ◽  
pp. 36-39
Author(s):  
Guang Feng Wu ◽  
Shan Shan Cao
Keyword(s):  
Aqueous Solution ◽  
Sodium Hydroxide ◽  
Nucleophilic Addition ◽  
Phase Transfer ◽  
Addition Reaction ◽  
Quality Score ◽  
Nucleophilic Addition Reaction ◽  
Phase Transfer Agent ◽  
Chromatographic Purity ◽  
Total Feeding

The nucleophilic addition reaction was happened between 2-pyrrolidone and acrylonitrile in the toluene solvent using the PTC and sodium hydroxide respectively as phase transfer agent and catalyst. The nitrile fraction which seemed as pale yellow liquid was obtained by rectification. The effect of types and amount of PTC on gas chromatographic purity and yield of product were studied. The results showed that a better product could be obtained by using BTEAC as the catalyst compared to the CTAB and TBA. The optimum experimental condition was determined by the orthogonal experimental method. The yield was as high up to 94.2% when the quality score of BTEAC accounted for 0.5% of the total feeding mass, the concentration of aqueous solution of sodium hydroxide was 10%, acrylonitrile excessed 5%, gas chromatographic purity of the product was 98.5%.

Layer by layer assembled functionalized graphene oxide-based polymer brushes for superlubricity on steel-steel tribocontact

Soft Matter ◽  
2021 ◽  
Author(s):  
Suprakash Samanta ◽  
Rashmi Ranjan Sahoo
Keyword(s):  
Graphene Oxide ◽  
Nucleophilic Addition ◽  
Polymer Brushes ◽  
Addition Reaction ◽  
Layer By Layer ◽  
Functionalized Graphene ◽  
Covalent Functionalization ◽  
Functionalized Graphene Oxide ◽  
Nucleophilic Addition Reaction ◽  
Branched Polyethylenimine

Present study demonstrates a simple and multistep approach for the preparation of covalent functionalization of chemically prepared graphene oxide (GO) by branched polyethylenimine (PEI) through nucleophilic addition reaction to prepare...

scholarly journals Catalytic Enantioselective Synthesis of 4-Amino-1,2,3,4-tetrahydropyridine Derivatives from Intramolecular Nucleophilic Addition Reaction of Tertiary Enamides

Synlett ◽  
2018 ◽  
Vol 30 (04) ◽  
pp. 483-487 ◽  
Author(s):  
Shuo Tong ◽  
Mei-Xiang Wang
Keyword(s):  
Phosphoric Acid ◽  
Asymmetric Catalysis ◽  
Nucleophilic Addition ◽  
Addition Reaction ◽  
Enantioselective Synthesis ◽  
Chiral Phosphoric Acid ◽  
Substrate Engineering ◽  
Nucleophilic Addition Reaction ◽  
Engineering Strategy ◽  
Acid Catalyzed

A general and efficient method for the synthesis of highly enantiopure 4-amino-1,2,3,4-tetradydropyridine derivatives based on chiral phosphoric acid catalyzed intramolecular nucleophilic addition of tertiary enamides to imines has been developed. We have also demonstrated a substrate engineering strategy to significantly improve the enantioselectivity of asymmetric catalysis

Nucleophilic addition reaction of aromatic compounds with α-chloroglycidates in the presence of Lewis acid

Tetrahedron ◽  
2003 ◽  
Vol 59 (10) ◽  
pp. 1781-1790 ◽  
Author(s):  
Jing-Rong Lin ◽  
Aidar T Gubaidullin ◽  
Vakhid A Mamedov ◽  
Sadao Tsuboi
Keyword(s):  
Lewis Acid ◽  
Aromatic Compounds ◽  
Nucleophilic Addition ◽  
Addition Reaction ◽  
Nucleophilic Addition Reaction
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