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MAP  >  Progress in Reaction Kinetics and Mechanism
2021 Volume 46
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ARTICLE   Open Access    

Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism

  • 1.

    Department of Chemistry, Payame Noor University, Tehran, Iran

  • 1.

    Department of Chemistry, University of Sistan and Baluchestan, Zahedan, Iran

  • 3.

    Department of Chemical Engineering, Sirjan University of Technology, Sirjan, Iran

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  • The reaction kinetics among isoquinoline, dimethyl acetylenedicarboxylate, and indole (as NH-acid) were investigated using ultraviolet (UV) spectrophotometry. The reaction rate equation was obtained, the dependence of the reaction rate on different reactants was determined, and the overall rate constant (kov) was calculated. By studying the effects of solvent, temperature, and concentration on the reaction rate, some useful information was obtained. A logical mechanism consistent with the experimental observations was proposed. Also, comprehensive theoretical studies were performed to evaluate the potential energy surfaces of all structures that participated in the reaction mechanism. Finally, the proposed mechanism was confirmed by the obtained results and the probable and logical reaction paths and also a correct product configuration were suggested based on the theoretical results.

  • Cite this article

    Mohammad Zakarianezhad, Sayyed Mostafa Habibi-Khorassani, Batoul Makiabadi, Elham Zeydabadi. 2021. Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism. Progress in Reaction Kinetics and Mechanism. 46:56864 doi: 10.1177/1468678320956864
    Mohammad Zakarianezhad, Sayyed Mostafa Habibi-Khorassani, Batoul Makiabadi, Elham Zeydabadi. 2021. Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism. Progress in Reaction Kinetics and Mechanism. 46:56864 doi: 10.1177/1468678320956864
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Article   Open Access    

Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism

  • 1.

    Department of Chemistry, Payame Noor University, Tehran, Iran

  • 1.

    Department of Chemistry, University of Sistan and Baluchestan, Zahedan, Iran

  • 3.

    Department of Chemical Engineering, Sirjan University of Technology, Sirjan, Iran

Progress in Reaction Kinetics and Mechanism  46,  Article number: 1468678320956864  (2021)  |  Cite this article

Abstract: The reaction kinetics among isoquinoline, dimethyl acetylenedicarboxylate, and indole (as NH-acid) were investigated using ultraviolet (UV) spectrophotometry. The reaction rate equation was obtained, the dependence of the reaction rate on different reactants was determined, and the overall rate constant (kov) was calculated. By studying the effects of solvent, temperature, and concentration on the reaction rate, some useful information was obtained. A logical mechanism consistent with the experimental observations was proposed. Also, comprehensive theoretical studies were performed to evaluate the potential energy surfaces of all structures that participated in the reaction mechanism. Finally, the proposed mechanism was confirmed by the obtained results and the probable and logical reaction paths and also a correct product configuration were suggested based on the theoretical results.

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    Cite this article
    Mohammad Zakarianezhad, Sayyed Mostafa Habibi-Khorassani, Batoul Makiabadi, Elham Zeydabadi. 2021. Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism. Progress in Reaction Kinetics and Mechanism. 46:56864 doi: 10.1177/1468678320956864
    Mohammad Zakarianezhad, Sayyed Mostafa Habibi-Khorassani, Batoul Makiabadi, Elham Zeydabadi. 2021. Three-component reaction involving isoquinoline and dimethyl acethylenedicarboxylate in the presence of indole: Theoretical and experimental investigations of the reaction mechanism. Progress in Reaction Kinetics and Mechanism. 46:56864 doi: 10.1177/1468678320956864
    shu

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