SYNTHESIS OF THYMOL VINYL ETHER

Volume 20 No 12 (2022)

Durdona Kuchkarova, Mahammadzhon Soliev

DOI: 10.14704/NQ.2022.20.12.NQ77342

Abstract

This article discusses the mechanism of the thymol vinylation reaction in the presence of acetylene in an overbasic medium. The main results were obtained on the basis of quantum chemical calculations and are consistent with the experimental results. Quantum-chemical calculations and modeling of intermediate complexes were performed using the HyperChem 8 software package based on MM+ and the Gaussian09 software using RHF/6-31-G* and MP2/6-311++G**//B3LYP. /6-31+G* combined methods

Keywords

thymol, acetylene, vinylation, superbasic medium, quantum chemistry.

Copyright © Neuroquantology

Creative Commons License
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Articles published in the Neuroquantology are available under Creative Commons Attribution Non-Commercial No Derivatives Licence (CC BY-NC-ND 4.0). Authors retain copyright in their work and grant IJECSE right of first publication under CC BY-NC-ND 4.0. Users have the right to read, download, copy, distribute, print, search, or link to the full texts of articles in this journal, and to use them for any other lawful purpose.