scholarly journals EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM

2016 ◽  
Vol 61 (2) ◽  
pp. 2929-2934 ◽  
Author(s):  
MOHAMMAD ZAKARIANEZHAD ◽  
BATOUL MAKIABADI ◽  
MOTAHARE SHOOL
Keyword(s):  
Reaction Mechanism ◽  
Theoretical Study ◽  
Phosphorus Ylides ◽  
Stable Phosphorus Ylides

Theoretical study and synthesis of the reaction between triphenylphosphine, dialkyl acetylenedicarboxylates and 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole

2010 ◽  
Vol 75 (8) ◽  
pp. 785-805 ◽  
Author(s):  
Sayyed Mostafa Habibi-Khorassani ◽  
Malek Taher Maghsoodlou ◽  
Ali Ebrahimi ◽  
Reza Heydari ◽  
Nourollah Hazeri ◽  
...  
Keyword(s):  
Double Bond ◽  
Carbonyl Group ◽  
Heterocyclic Compounds ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Phosphorus Ylides ◽  
Geometrical Isomers ◽  
Dialkyl Acetylenedicarboxylates ◽  
Single Isomer ◽  
Stable Phosphorus Ylides

Triphenylphosphine reacts with dialkyl acetylenedicarboxylates in the presence of heterocyclic compounds, such as 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole to generate stable phosphorus ylides. Some ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon–carbon partical double bond resulting from conjugation of the ylide moiety with the adjacent carbonyl group, whereas others occur as a single isomer only. For this reason, the assignments of more stable Z- or E-isomers as the major or minor forms were investigated using theoretical calculations.

Theoretical Study, An Efficient Synthesis Route to, and Kinetic Investigation of, Stable Phosphorus Ylides Derived from Benzamide

2009 ◽  
Vol 34 (3) ◽  
pp. 261-288 ◽  
Author(s):  
Sayyed Mostafa Habibi-Khorassani ◽  
Ali Ebrahimi ◽  
Malek Taher Maghsoodlou ◽  
Hamideh Saravani ◽  
Mohammad Zakarianezhad ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Theoretical Calculations ◽  
Condensation Reaction ◽  
Kinetic Investigation ◽  
Phosphorus Ylides ◽  
Acetylenic Esters ◽  
One Pot ◽  
Rate Determining Step ◽  
Mechanistic Investigation ◽  
Stable Phosphorus Ylides

The synthesis, theoretical study and a kinetics and mechanistic investigation are described as a one-pot condensation reaction between benzamide and acetylenic esters in the presence of triphenyphosphine to generate a novel stable phosphorus ylides. For the first time, theoretical calculations have been employed to assign the most stable isomers ( Z or E) of phosphorus ylides 4a-c by AIM and NBO theory, in which Z-4(a,b) are the more stable forms, whereas Z-4c appears as a single isomer. In these cases, the 1H, 13C and 31P NMR spectra of these ylides are consistent with the results obtained from theoretical calculations. Kinetic investigation of the new ylides was undertaken by UV. Useful information was obtained from studies of the effect of solvent, structure of reactants (different alkyl groups within the acetylenic esters), and also the concentration of reactants on the rate of reactions. The proposed mechanism was consistent with the results obtained; from the steady-state approximation, the first step ( k2) of the reaction was recognized as the rate-determining step on the basis of the experimental data.

Theoretical study of the ketonization reaction mechanism of acetic acid over SiO2

2009 ◽  
Author(s):  
Mendel Fleisher ◽  
E. Lukevics ◽  
L. Leite ◽  
D. Jansone ◽  
K. Edolfa ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Reaction Mechanism ◽  
Theoretical Study

Oxidation Reaction by Xanthine Oxidase. Theoretical Study of Reaction Mechanism

2007 ◽  
Vol 129 (26) ◽  
pp. 8131-8138 ◽  
Author(s):  
Tatsuo Amano ◽  
Noriaki Ochi ◽  
Hirofumi Sato ◽  
Shigeyoshi Sakaki
Keyword(s):  
Reaction Mechanism ◽  
Xanthine Oxidase ◽  
Oxidation Reaction ◽  
Theoretical Study

Theoretical study on the reaction mechanism for the hydrolysis of esters and amides under acidic conditions

Tetrahedron ◽  
2007 ◽  
Vol 63 (5) ◽  
pp. 1264-1269 ◽  
Author(s):  
Kenzi Hori ◽  
Yutaka Ikenaga ◽  
Kouichi Arata ◽  
Takanori Takahashi ◽  
Kenji Kasai ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Theoretical Study ◽  
Acidic Conditions ◽  
Hydrolysis Of Esters ◽  
Hydrolysis Of

Theoretical study on the radical–radical reaction mechanism of CH2I + NO2

2009 ◽  
Vol 127 (1-2) ◽  
pp. 49-56 ◽  
Author(s):  
Xiu-Juan Jia ◽  
You-Jun Liu ◽  
Jing-Yu Sun ◽  
Hao Sun ◽  
Fang Wang ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Theoretical Study ◽  
Radical Reaction
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