scholarly journals Mechanism and theory of d-glucopyranose homogeneous acid catalysis in the aqueous solution phase

2019 ◽  
Vol 21 (32) ◽  
pp. 17993-18011 ◽  
Author(s):  
Manik Kumer Ghosh ◽  
Mícheál Séamus Howard ◽  
Karla Dussan ◽  
Stephen Dooley
Keyword(s):  
Aqueous Solution ◽  
Acid Hydrolysis ◽  
Acid Catalysis ◽  
Theoretical Study ◽  
Solution Phase ◽  
Homogeneous Acid ◽  
Hydrolysis Of

Theoretical study of the mechanism of acid hydrolysis of β-d-glucopyranose in the aqueous solution.

The synthesis of Cyclododecane-r-1,c-5,c-9-triamine and r-1,c-5,c-9-Tris(2,3-dimethoxybenzamido)cyclododecane

1975 ◽  
Vol 28 (3) ◽  
pp. 673 ◽  
Author(s):  
DJ Collins ◽  
C Lewis ◽  
JM Swan
Keyword(s):  
Aqueous Solution ◽  
Acid Hydrolysis ◽  
Sulphuric Acid ◽  
Sodium Carbonate ◽  
Sodium Azide ◽  
Room Temperature ◽  
Dimethyl Formamide ◽  
Lithium Aluminium Hydride ◽  
Lithium Aluminium ◽  
Hydrolysis Of

Treatment of cyclododecane-r-1,c-5,c-9-triyl tris(p-toluenesulphonate) with sodium azide in dimethyl-formamide at 100� for 6 h gave the corresponding cis,cis-triazide which upon hydrogenation or reduction with lithium aluminium hydride gave cyclododecane-r-1,c-5,c-9-triamine, isolated as the tris-salicylidene derivative. Acid hydrolysis of this, removal of the salicylaldehyde, and treatment of the aqueous solution with sodium carbonate and 2,3-dimethoxybenzoyl chloride gave r-1,c-5,c- 9-tris(2,3-dimethoxybenzamido)cyclododecane. ��� Treatment of (E,E,E)-cyclododeca-1,5,9-triene with an excess of acetonitrile and sulphuric acid at room temperature for three days gave 18% of (E,E)-1-acetamidocyclododeca-4,8-diene; no di- or tri-amides were isolated.

scholarly journals Thermodynamic Study of Hydrolysis Reactions in Aqueous Solution fromAb InitioPotential and Molecular Dynamics Simulations

2013 ◽  
Vol 2013 ◽  
pp. 1-8 ◽  
Author(s):  
S. Tolosa ◽  
A. Hidalgo ◽  
J. A. Sansón
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Free Energy ◽  
Reaction Mechanism ◽  
Molecular Dynamics Simulations ◽  
Infinite Dilution ◽  
Theoretical Study ◽  
Water Model ◽  
Dynamics Simulations ◽  
Hydrolysis Of

A procedure for the theoretical study of chemical reactions in solution by means of molecular dynamics simulations of aqueous solution at infinite dilution is described usingab initiosolute-solvent potentials and TIP3P water model to describe the interactions. The procedure is applied to the study of neutral hydrolysis of various molecules (HCONH2, HNCO, HCNHNH2, and HCOOCH3) via concerted and water-assisted mechanisms. We used the solvent as a reaction coordinate and the free energy curves for the calculation of the properties related with the reaction mechanism, namely, reaction and activation energies.

Theoretical Study of the Neutral Hydrolysis of Hydrogen Isocyanate in Aqueous Solution via Assisted-Concerted Mechanisms

2009 ◽  
Vol 113 (9) ◽  
pp. 1858-1863 ◽  
Author(s):  
S. Tolosa Arroyo ◽  
A. Hidalgo Garcia ◽  
J. A. Sansón Martín
Keyword(s):  
Aqueous Solution ◽  
Theoretical Study ◽  
Hydrolysis Of

Photooxygenation of nitrobenzyl derivatives. Mechanisms of photogeneration and hydrolysis of α-hydroperoxy nitrobenzyl ethers

1987 ◽  
Vol 65 (8) ◽  
pp. 1775-1783 ◽  
Author(s):  
Peter Wan ◽  
S. Muralidharan ◽  
Iain McAuley ◽  
Christopher A. Babbage
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Peroxide ◽  
Acid Hydrolysis ◽  
Quantum Yields ◽  
Acid And Base ◽  
Hydrolysis Of

The photooxygenation of nitrobenzyl derivatives 1–10 has been studied in aqueous solution as a function of pH. For m-nitrobenzyl ethers 2–4 and 9, stable α-hydroperoxy ethers (11–13) are the primary photochemical products. Acid hydrolysis of 11–13 gives m-nitrobenzaldehyde and hydrogen peroxide. Quantum yields for photooxygenation are reported for a number of derivatives as a function of pH. Acid and base catalyses of photooxygenation are observed for several compounds. A mechanism involving photogenerated nitrobenzyl carbanion intermediates is proposed.

Theoretical study of the hydrolysis of ethyl benzoate in acidic aqueous solution using the QM/MC/FEP method

2012 ◽  
Vol 547 ◽  
pp. 97-102 ◽  
Author(s):  
Thanayuth Kaweetirawatt ◽  
Yohei Kokita ◽  
Shiho Iwai ◽  
Michinori Sumimoto ◽  
Kenji Hori
Keyword(s):  
Aqueous Solution ◽  
Theoretical Study ◽  
Ethyl Benzoate ◽  
Acidic Aqueous Solution ◽  
Hydrolysis Of
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