The Synthesis of Imine from the Reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in Different Temperature Conditions by DFT method

Jafari, Masoumeh

doi:10.22034/ijnc.2018.32723

Document Type : Research Paper

Author

Masoumeh Jafari

Department of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University

10.22034/ijnc.2018.32723

Abstract

In this article, synthesis of the synthesis of Imine: phenyl-N-((R)-2-((piperidine-1-yl) methyl)cyclohexylidene)methanamine from the reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the thermodynamic parameters performed on all of them. The amount of ∆H, ∆S and ∆G of this reaction at different temperatures in form of sum of parameters discrepancy in the products than reactants is obtained. And finally, the best temperature for the synthesis of explosive according to the obtained thermodynamic parameters were evaluated.

Keywords

References

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International Journal of New Chemistry

The Synthesis of Imine from the Reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in Different Temperature Conditions by DFT method

References

References

Volume 5, Issue 2
April 2018
Pages 56-64

The Synthesis of Imine from the Reaction of (R)-2-((piperidin-1-yl) methyl) cyclohexanone with benzylamine in Different Temperature Conditions by DFT method

References

References

Volume 5, Issue 2April 2018Pages 56-64

Volume 5, Issue 2
April 2018
Pages 56-64