theoretical study on the mechanism of stable phosphorus ylides derived from 5-aminoindazole in the presence of different dialkyl acetyelenedicarboxylates
نویسندگان
چکیده
in the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of nh-acid, such as 5-aminoindazole 3 were investigated theoretically. quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. the first step of all reactions was recognized as a rate-determining step in the reaction mechanism. all the possible structures partipated on the reaction coordinate were well predicted. quantum mechanical calculations were clarified how the ylides exist in solution as a mixture of two geometrical isomers (z- and e-) as a minor or major forms.
منابع مشابه
Theoretical study on the mechanism of stable phosphorus ylides derived from 5-aminoindazole in the presence of different dialkyl acetyelenedicarboxylates
In the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as 5-aminoindazole 3 were investigated theoretically. Quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. The first step of ...
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The kinetics of the reactions between triphenylphosphine 1 and dialkyl acetylenedicarboxylates 2, in the presence of a NH-acid such as 5-nitroindazole 3,were studied. Corresponding kinetic parameters to all reactions were evaluated, with the second order rate constant (k) values calculated. Effects of solvent, temperature, and reactant...
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the kinetics of the reactions between triphenylphosphine 1 and dialkyl acetylenedicarboxylates 2, in the presence of a nh-acid such as 5-nitroindazole 3,were studied. corresponding kinetic parameters to all reactions were evaluated, with the second order rate constant (k) values calculated. effects of solvent, temperature, and reactants (dialkyl acetylenedicarboxylates) structure and concentrat...
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عنوان ژورنال:
iranian chemical communicationجلد ۵، شماره Issue ۳. pp. ۲۶۱-۳۷۱، صفحات ۳۳۲-۳۳۸
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