Experimental and Theoretical DFT Study on Synthesis of Novel 5-Chloroisatin Derivatives via 1, 3-Dipolar Cycloaddition Reactions between Allyl-5-chloroindoline-2, 3-dione and 4-Chlorobenzaldoxime

International Journal of Applied Chemistry

© 2017 by SSRG - IJAC Journal

Volume 4 Issue 3

Year of Publication : 2017

Authors : Z. Tribak, M.K. Skalli, O. Senhaji, Y. Kandri. Rodi

10.14445/23939133/IJAC-V4I5P101

How to Cite?

Z. Tribak, M.K. Skalli, O. Senhaji, Y. Kandri. Rodi, "Experimental and Theoretical DFT Study on Synthesis of Novel 5-Chloroisatin Derivatives via 1, 3-Dipolar Cycloaddition Reactions between Allyl-5-chloroindoline-2, 3-dione and 4-Chlorobenzaldoxime," SSRG International Journal of Applied Chemistry, vol. 4,  no. 3, pp. 1-6, 2017. Crossref, https://doi.org/10.14445/23939133/IJAC-V4I5P101

Abstract:

This work deals about 1,3-Dipolar cycloaddition reactions between 1-allyl-5- chloroindoline-2,3-dione 2 and 4-Chlorobenzaldoxime 3 proceed under mild conditions, with complete regioselectivity. A DFT study was conducted by GAUSSIAN 09W software using the B3LYP functional and a 6-31G basis set elucidated the reactivity, selectivity, and mechanisms of such direct synthesis. The present study demonstrates that the theoretically obtained results were found to be consistent with the experimental data reported.

Keywords:

1,3-Dipolar cycloaddition, DFT, 1-allyl-5- chloroindoline-2,3-dione, 4-Chlorobenzaldoxime,1H NMR, 13C NMR.

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