Catalyst-and organic solvent-free synthesis, structural, and theoretical studies of 1-arylidenamino-2,4-disubstituted-2-imidazoline-5-ones
Document Type
Article
Publication Title
Results in Chemistry
Abstract
We have developed a solvent- and catalyst-free cyclization reaction for the synthesis of 1-arylidenamino-2,4-disubstituted-2-imidazoline-5-ones under neat conditions. The new synthetic procedure is efficient and green in nature. All synthesized compounds were obtained in good yields (70–78%) and have been characterized by 1H and 13C NMR spectroscopy. The structure of compound 2d was characterized crystallographically using a single crystal X-Ray diffractometer. Compound 2d was found to crystallize in the triclinic space group P-1 with Z = 2. Moreover, the Frontier Molecular Orbitals (FMOs), the global chemical reactivity descriptors, and the molecular Electrostatic Potential (MEP) of 2d have been calculated at B3LYP/6-31G(d,p) level of theory.
DOI
10.1016/j.rechem.2020.100042
Publication Date
1-1-2020
Recommended Citation
Saaed, Wessam; Elagawany, Mohamed; Azab, Mohamed M.; Amin, Alaa S.; Rath, Nigam P.; Hegazy, Lamees; and Elgendy, Bahaa, "Catalyst-and organic solvent-free synthesis, structural, and theoretical studies of 1-arylidenamino-2,4-disubstituted-2-imidazoline-5-ones" (2020). Pharmaceutical and Administrative Sciences Faculty Publications. 90.
https://doi.org/10.1016/j.rechem.2020.100042
https://collections.uhsp.edu/pharm-admin-sciences_pubs/90