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Synthesis of Some Pyrimidine, Pyrazole, and Pyridine Derivatives and Their Reactivity Descriptors
Joint Authors
Abdel-Mottaleb, Mohamed Sabry
Abdel-Sattar, Nour E. A.
Badawy, Eman H. K.
Source
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-11-13
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
A series of novel pyrimidine (2, 3), pyrazole (4, 5), and pyridine (6) derivatives were synthesized using a chalcone-bearing thiophene nucleus (1).
The target compounds were synthesized by reaction of compound (1) with urea, thiourea, malononitrile, hydrazine hydrate, and 2,4-dinitrophenyl hydrazine, respectively.
Molecular electronic structures have been modeled within density functional theory framework (DFT).
Reactivity indices and electrostatic surface potential maps (ESP maps) allow us to establish trends that enable making predictions about chemical characteristics of the newly synthesized molecules and their proton transfer tautomers.
Proton transfer is generally more favored in solution than in the gas phase.
In acetonitrile, keto-form tautomers and thione-form tautomers become more energetically stable than the corresponding enol or thiol tautomers due to solvent-induced enhancement in the molecular polarity identified by computed dipole moment.
American Psychological Association (APA)
Abdel-Sattar, Nour E. A.& Badawy, Eman H. K.& Abdel-Mottaleb, Mohamed Sabry. 2018. Synthesis of Some Pyrimidine, Pyrazole, and Pyridine Derivatives and Their Reactivity Descriptors. Journal of Chemistry،Vol. 2018, no. 2018, pp.1-11.
https://search.emarefa.net/detail/BIM-1182676
Modern Language Association (MLA)
Abdel-Sattar, Nour E. A.…[et al.]. Synthesis of Some Pyrimidine, Pyrazole, and Pyridine Derivatives and Their Reactivity Descriptors. Journal of Chemistry No. 2018 (2018), pp.1-11.
https://search.emarefa.net/detail/BIM-1182676
American Medical Association (AMA)
Abdel-Sattar, Nour E. A.& Badawy, Eman H. K.& Abdel-Mottaleb, Mohamed Sabry. Synthesis of Some Pyrimidine, Pyrazole, and Pyridine Derivatives and Their Reactivity Descriptors. Journal of Chemistry. 2018. Vol. 2018, no. 2018, pp.1-11.
https://search.emarefa.net/detail/BIM-1182676
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1182676