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

In the recent work, kinetics studies were made of the reactions between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as indazole 3. The kinetic parameters of all reactions determined by UV spectrophotometry. The second order fits were drawn and the values...

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Autores principales:	ZAKARIANEZHAD,MOHAMMAD, MAKIABADI,BATOUL, SHOOL,MOTAHARE
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2016
Materias:	NH-acid Kinetic investigation Theoretical study Z- and E-rotamers Indazole Triphenylphosphine
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000200016
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spelling	oai:scielo:S0717-970720160002000162016-09-14EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISMZAKARIANEZHAD,MOHAMMADMAKIABADI,BATOULSHOOL,MOTAHARE NH-acid Kinetic investigation Theoretical study Z- and E-rotamers Indazole Triphenylphosphine In the recent work, kinetics studies were made of the reactions between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as indazole 3. The kinetic parameters of all reactions determined by UV spectrophotometry. The second order fits were drawn and the values of the second order rate constant (k) were calculated using standard equations. All reactions repeated at different solvents and temperatures. Furthermore, useful information was obtained from studies of the effect of solvent, the structure of the reactants (dialkyl acetylenedicarboxylates) and also the concentration of reactants on the reaction rates. Theoretical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism. The first step of all reactions was recognized as a rate-determining step in the reaction mechanism, on the basis of experimental and theoretical data. Theoretical studies performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism. Quantum mechanical calculations were clarified that how the ylides exist, in solution, as a mixture of two geometrical Z- and E-isomers as a minor or major form.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.61 n.2 20162016-06-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000200016en10.4067/S0717-97072016000200016
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	NH-acid Kinetic investigation Theoretical study Z- and E-rotamers Indazole Triphenylphosphine
spellingShingle	NH-acid Kinetic investigation Theoretical study Z- and E-rotamers Indazole Triphenylphosphine ZAKARIANEZHAD,MOHAMMAD MAKIABADI,BATOUL SHOOL,MOTAHARE EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM
description	In the recent work, kinetics studies were made of the reactions between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as indazole 3. The kinetic parameters of all reactions determined by UV spectrophotometry. The second order fits were drawn and the values of the second order rate constant (k) were calculated using standard equations. All reactions repeated at different solvents and temperatures. Furthermore, useful information was obtained from studies of the effect of solvent, the structure of the reactants (dialkyl acetylenedicarboxylates) and also the concentration of reactants on the reaction rates. Theoretical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism. The first step of all reactions was recognized as a rate-determining step in the reaction mechanism, on the basis of experimental and theoretical data. Theoretical studies performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism. Quantum mechanical calculations were clarified that how the ylides exist, in solution, as a mixture of two geometrical Z- and E-isomers as a minor or major form.
author	ZAKARIANEZHAD,MOHAMMAD MAKIABADI,BATOUL SHOOL,MOTAHARE
author_facet	ZAKARIANEZHAD,MOHAMMAD MAKIABADI,BATOUL SHOOL,MOTAHARE
author_sort	ZAKARIANEZHAD,MOHAMMAD
title	EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM
title_short	EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM
title_full	EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM
title_fullStr	EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM
title_full_unstemmed	EXPERIMENTAL AND THEORETICAL STUDY OF STABLE PHOSPHORUS YLIDES DERIVED FROM INDAZOLE IN THE PRESENCE OF DIFFERENT DIALKYL ACETYELENEDICARBOXYLATES: FURTHER INSIGHTS INTO THE REACTION MECHANISM
title_sort	experimental and theoretical study of stable phosphorus ylides derived from indazole in the presence of different dialkyl acetyelenedicarboxylates: further insights into the reaction mechanism
publisher	Sociedad Chilena de Química
publishDate	2016
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072016000200016
work_keys_str_mv	AT zakarianezhadmohammad experimentalandtheoreticalstudyofstablephosphorusylidesderivedfromindazoleinthepresenceofdifferentdialkylacetyelenedicarboxylatesfurtherinsightsintothereactionmechanism AT makiabadibatoul experimentalandtheoreticalstudyofstablephosphorusylidesderivedfromindazoleinthepresenceofdifferentdialkylacetyelenedicarboxylatesfurtherinsightsintothereactionmechanism AT shoolmotahare experimentalandtheoreticalstudyofstablephosphorusylidesderivedfromindazoleinthepresenceofdifferentdialkylacetyelenedicarboxylatesfurtherinsightsintothereactionmechanism
_version_	1718445552103849984

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

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