Effect of Atomic Charge and Some Physical Properties on pKa of Substituted Pyridines [PDF]
A number of different levels of theoretical calculations have been used for assigning the Mulliken charge to the atoms of mono-substituted pyridines, including both quantum chemical and empirical schemes.
Mahmmoud S. Saieed, Zaheda A. Najim
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Nowadays, the use of tobacco biomass as an energy source is being valued. Therefore, it is important to know the processes that take place during combustion and pyrolysis, as well as the substances that are formed.
Javier Asensio +4 more
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Synthesis and late-stage functionalization of complex molecules through C-H fluorination and nucleophilic aromatic substitution. [PDF]
We report the late-stage functionalization of multisubstituted pyridines and diazines at the position α to nitrogen. By this process, a series of functional groups and substituents bound to the ring through nitrogen, oxygen, sulfur, or carbon are ...
Fier, Patrick S, Hartwig, John F
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Isotopic Polymorphism in Pyridine [PDF]
The ab initio calculation of the relative stabilities of isomers of gas phase molecules rates as one of the outstanding scientific achievements of the twentieth century. Our understanding of the structure of solid state is, by comparison, much less well advanced. The problem is illustrated by the crystal structure of pyridine.
Crawford, Stephen +10 more
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[2,2′-Bipyridin]-6(1H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C–H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine [PDF]
Producción CientíficaThe ligand [2,2′-bipyridin]-6(1H)-one (bipy-6-OH) has a strong accelerating effect on the Pd- catalyzed direct arylation of pyridine or arenes.
Albéniz Jiménez, Ana Carmen +2 more
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An Efficient Synthesis of Novel Pyrazole-Based Heterocycles as Potential Antitumor Agents
A new series of pyrazolylpyridines was prepared by reaction of ethyl-3-acetyl-1,5-diphenyl-1H-pyrazole-4-carboxylate with the appropriate aldehyde, malononitrile, or ethyl acetoacetate and an excess of ammonium acetate under reflux in acetic acid ...
Magda A. Abdallah +5 more
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Discovering the stacking landscape of a pyridine-pyridine system [PDF]
Extremely extensive calculations of potential energy surfaces for the parallel-displaced configuration of pyridine dimer systems have been carried out using a dispersion-corrected density functional. Instead of focusing on stationary geometries these calculations provide much deeper insight into the "landscape" of the interaction energies of the ...
openaire +3 more sources
Bohlmann-Rahtz Cyclodehydration of Aminodienones to Pyridines Using N-Iodosuccinimide
Cyclodehydration of Bohlmann-Rahtz aminodienone intermediates using N-iodosuccinimide as a Lewis acid proceeds at low temperature under very mild conditions to give the corresponding 2,3,6-trisubstituted pyridines in high yield and with total ...
Mark C. Bagley, Christian Glover
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Many literature reports revealed the anticancer activity of pyridine and thiazole derivatives, especially in lung cancer. Therefore, a new series of thiazolyl pyridines linked with thiophene moiety via hydrazone group was prepared by one-pot multi ...
Fayza O. Ashmawy +5 more
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Two-Dimensional Molecular Patterning by Surface-Enhanced Zn-Porphyrin Coordination [PDF]
In this contribution, we show how zinc-5,10,15,20-meso-tetradodecylporphyrins (Zn-TDPs) self-assemble into stable organized arrays on the surface of graphite, thus positioning their metal center at regular distances from each other, creating a molecular ...
Elemans J. A. A. W. +20 more
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