Search results for "Reaction path"
showing 7 items of 17 documents
Photocatalytic oxidation of nitrobenzene and phenylamine: Pathways and kinetics
2007
WOS: 000245150800018
1,2-Dipolar addition model for the cytoprotective activity of selected α,β-unsaturated compounds with CO functionality: an ab initio study
2001
Abstract The mechanism of the addition of a nucleophile (an alkylthiol group) to a double bond of α,β-unsaturated systems in the gas phase was explored. In this study, intermediates of the reaction were also investigated using ab initio calculations (RHF/6-31G ∗ and MP2/6-31+G ∗ ). Our results indicate that direct dipolar attack of the S–H group of an alkylthiol on the CC double bond is a reasonable reaction path. The present results represent, therefore, additional support for our hypothesis. This suggests that the mechanism of cytoprotection might be mediated, at least in part, by a reaction between the olefinic acceptor and the sulfhydryl-containing groups of the mucosa.
Mechanismus und Reaktionswege der Xanthenylierung an ambidenten nukleophilen Arzneistoffen
1986
Am Beispiel der ambidenten nukleophilen Arzneistoffe 4-Aminobenzolsulfonamid (3), Indometacin (7) und Phenylbutazon (10) werden Aralkylierungen mit dem SN1-aktiven Reagens Xanthydrol (1) vorgestellt. Mechanism and Reaction Path of the Xanthenylation of Ambident Nucleophilic Drugs The aralkylation of ambident nucleophilic drugs, e.g. 4-aminobenzenesulfonamide (3), indometacine (7) and phenylbutazone (10), with SN1-active xanthydrol (1) is described.
Die herstellung molekulareinheitlicher leiteroligomerer und einer molekulareinheitlichen hexaacrylsäure. IV. Mitt.: Modelle für matrizenreaktionen
1968
Die phenolischen Hydroxylgruppen molekulareinheitlicher Mehrkernverbindungen mit vier und funf pKresolbausteinen je Molekul konnten vollstandig mit Acrylsaurechlorid in Gegenwart von Triathylamin verestert werden. Lies man auf die in siedendem Benzol stark verdunnten mehrafachen Acrylsaureester einen Uberschus an Radikalen aus α.α′-Azoisobutyrodinitril einwirken, so bildeten sich mit guter Ausbeute molekulareinheitliche, dunnschichtchromatographisch reine Leiteroligomere. Die alkalische Verseifung des Leiteroilgomeren mit vier p-Kresolbausteinen gab eine molekulareinheitliche Hexaacrylsaure, die als Hexamethylester durch Elementaranalyse und Molekulargewicht charakterisiert wurde; die gefun…
On the Reactivity of C(sp3)–H σ-Bonds: Oxygenation with Methyl(trifluoromethyl)dioxirane
2008
The reactivity of C–H σ-bonds of a series of 2-substituted adamantanes 2 towards methyl(trifluoromethyl)dioxirane (1) shows a consistent dependence on the electron-withdrawing ability, either inductive or by resonance, of the substituent. The results are interpreted in terms of the ability of the substrate molecule to delocalize the electronic perturbation of the reacting center at the beginning of the reaction path. The model shows that the electronic demand from the reacting C–H σ-bond is transmitted along the substrate through a chain of hyperconjugative interactions, the relative intensities of which depend on the σ-bonds involved. The substrate molecule simultaneously provides positive…
Numerical modelling of gas-water-rock interactions in volcanic-hydrothermal environment: the Ischia Island (Southern Italy) case study.
2012
Hydrothermal systems hosted within active volcanic systems represent an excellent opportunity to investigate the interactions between aquifer rocks, infiltrating waters and deep-rising magmatic fluids, and thus allow deriving information on the activity state of dormant volcanoes. From a thermodynamic perspective, gas-water-rock interaction processes are normally far from equilibrium, but can be represented by an array of chemical reactions, in which irreversible mass transfer occurs from host rock minerals to leaching solutions, and then to secondary hydrothermal minerals. While initially developed to investigate interactions in near-surface groundwater environments, the reaction path mode…
Rearrangement of N-(3-pyridyl)nitramine
2009
AbstractContrary to other N-(pyridyl)nitramines, the title compound cannot be rearranged to 3-amino-2-nitropyridine or other isomers. Hypothetical products of its transformation under influence of concentrated sulphuric acid, viz. 3-hydroxypyridine, 3,3′-azoxypyridine and 3,3′-azopyridine, were obtained from 3-nitro- and 3-aminopyridine in oxidation and reduction reactions. N-(3-Pyridyl)nitramine was prepared and rearranged in concentrated sulphuric acid. 3-Hydroxypyridine and 3,3′-azoxypyridine were isolated from the reaction mixture, other products were identified by the HPLC and GCMS methods. The results indicate that N-(3-pyridyl)hydroxylamine is an intermediate formed from N-(3-pyridyl…