Synthesis, spectroscopic characterization, thermal, XRD crystal structure, the PLATON structural analysis, and theoretical studies of a new 1,2,4-triazolo-[1,5-a]pyrimidines derivatives

The current work reports the synthesis of two new triazolopyrimidine derivatives from 3-aminotriazole and ethyl 3-phenylglycidate. The two new compounds were characterized using IR spectra, UV–vis spectra, NMR ( 1 H and 13 C), thermal analyses (TGA and DTA) and finally the structure of one was confirmed by X-ray diffraction studies. Quantum chemical calculations were also conducted to corroborate experimental findings. © 2019 Elsevier B.V.

Authors
El Bakri Y. , Lai C.-H.3, 4 , Sebhaoui J.1 , Ben Ali A. , Essassi E.M.1 , Mague J.T.6
Language
English
Pages
12-24
Status
Published
Volume
1184
Year
2019
Organizations
  • 1 Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des Médicaments, Pôle de Compétences Pharmacochimie, URAC 21, Faculté des Sciences, Université Mohammed V Rabat, Avenue Ibn Battouta, Rabat, BP 1014, Morocco
  • 2 Department of Organic Chemistry, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklayast., Moscow, 117198, Russian Federation
  • 3 Department of Medical Applied Chemistry, Chung Shan Medical University, Taichung, 40241, Taiwan
  • 4 Department of Medical Education, Chung Shan Medical University Hospital, Taichung, 402, Taiwan
  • 5 Laboratoire de Chimie Appliquée des Matériaux, Centres des Sciences des Matériaux, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, Rabat, BP 1014, Morocco
  • 6 Department of Chemistry, Tulane University, New Orleans, LA 70118, United States
Keywords
1,2,4-triazolo[1,5-a]pyrimidine; CAM-B3LYP; DFT/B3LYP method; X-ray
Date of creation
19.07.2019
Date of change
19.07.2019
Short link
https://repository.rudn.ru/en/records/article/record/38632/
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