Browsing by Author "Erdogan, Ahmet"

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Synthesis, Characterization and Theoretical Studies of Novel Pyrimidine Derivatives as Potential Corrosion Inhibitors
(Serbian Chemical Soc, 2020) Akbas, Esvet; Yildiz, Ela; Erdogan, Ahmet
In this study, five new pyrimidine derivatives were synthesized and characterized by characterization methods such as H-1-NMR, C-13-NMR, FT-IR and elemental analysis. The corrosion inhibition activity of the synthesized compounds was examined by theoretical calculation using DFT method at the level of B3LYP/6-31G (d,p). According to the calculations, 4-(6-benzoyl-2-benzylidene-3-oxo-7-phenyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-yl)-benzoic acid (6) appears to be a good inhibitor for corrosion.
Synthesis, Dft Study and the Eschenmoser Sulfide Contraction of 1,2,3,4-Tetrahydropyrimidine Derivatives
(Chem Soc Pakistan, 2017) Akbas, Esvet; Erdogan, Ahmet; Ergan, Erdem; Gulcan, Mehmet; Ruzgar, Adem
5-Substituebenzoyl-4-aryl-6-substituephenyl-1,2,3,4-tetrahydro-2-(thioxo, oxo and imino) pyrimidines (4a-d) were synthesized via multicomponent cyclocondensation reaction. 7-Benzoyl- 8-phenyl-6-(4-carboxyphenyl)-2,3-dihydropyrimido[2,1-b][1,3] thiazin-4(6H)-one (5), 6-benzoyl- 2-methyl-7-phenyl-5-(4-carboxyphenyl)-3-oxo-2,3-dihydro-5H-thiazolo[ 3,2-a] pyrimidine (6) and 6-benzoyl-7-phenyl-5-(4-carboxyphenyl)-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a] pyrimidine (7) were synthesized via reactions of starting compound 4e [1] and appropriate reagent compounds. When 4e was treated with alpha-bromoester in 1,4-dioxane (1/10 mL) it was resulted like the Eschenmoser sulfide contraction and compounds 8 was obtained. This method generally requires tertiary phosphine but instead of it we used pyridine as a catalyst. In addition, all synthesized pyrimidine derivatives have been optimized geometrically with DFT in Gaussian at the B3LYP/6-31G(d, p) level in order to obtain information about the 3D geometries and electronic structures.