Cover image for Design, synthesis, investigation of cyclization reactions and determination of electronic properties of 3,4-dihydropyrimidine-2 (1H) derivatives
Title:
Design, synthesis, investigation of cyclization reactions and determination of electronic properties of 3,4-dihydropyrimidine-2 (1H) derivatives
Author:
Othman, Khdir Ahmed, 1992-
Personal Author:
Publication Information:
Van : Van Yüzüncü Yıl Üniversitesi, 2021.
Physical Description:
xxi, 111 sayfa : şekil, tablo, grafik ; 30 cm + 1 CD.
Abstract:
ABSTRACT In this study, pyrimidine derivative compounds were obtained by using Biginelli reaction which is one of the multicomponent cyclocondensation reaction (MCR) methods. by reacting pyrimidine derivative compounds with bromoacetic acid and various aryl-aldehydes in the same vessel by one step, arylidene-bicyclic thiazolo-pyrimidine compounds were synthesized in good yield. The structures of all new compounds were analyzed using spectroscopic methods such as IR, 1H, and 13C NMR. At the same time, quantum chemical calculations (QCC) of all compounds, density functional theory (DFT) method, 6-31G (d, p) base set and B3LYP functions were performed with Gaussian09W software package.

ÖZET Bu çalışmada, multikomponent siklokondenzasyon reaksiyon (MCR) yöntemlerinden biri olan Biginelli reaksiyonu kullanılarak pirimidin türevi bileşikler elde edildi. Pirimidin türevi bileşiklerin aynı kap içerisinde tek basamakta bromoasetik asit ve çeşitli aril-aldehitler ile reaksiyona sokulmasıyla, iyi bir verimle, ariliden-bisiklik tiyazolo-pirimidin bileşikleri sentezlendi. Tüm yeni bileşiklerin yapıları IR, 1H, ve 13C NMR gibi spektroskopik yöntemler kullanılarak analiz edildi. Aynı zamanda tüm bileşiklerin kuantum kimyasal hesaplamaları (QCC), yoğunluk fonksiyonel teorisi (DFT) metodu, 6-31G (d, p) baz seti ve B3LYP fonksiyonları kullanılarak Gaussian09W yazılım paketi ile gerçekleştirildi.
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Thesis 093370 540 /TEZ /OTHd /2021
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