Synthesis, physico-chemical, hirschfield surface and DFT/B3LYP calculation of two new hexahydropyrimidine heterocyclic compounds
| Author | Warad, Ismail |
| Author | Al-Nuri, Mohammed |
| Author | Ali, Oraib |
| Author | Abu-Reidah, Ibrahim M. |
| Author | Barakat, Assem |
| Author | Ben Hadda, Taibi |
| Author | Zarrouk, Abdelkader |
| Author | Radi, Smaail |
| Author | Touzani, Rachid |
| Author | Elmsellem, Hicham |
| Available date | 2020-05-14T09:55:44Z |
| Publication Date | 2019 |
| Publication Name | Iranian Journal of Chemistry and Chemical Engineering |
| Resource | Scopus |
| ISSN | 10219986 |
| Abstract | Two new hexahydropyrimidine compounds were prepared in high yield by condensation of an equimolar amount of 1,3-diamine with 2-dipyridylketone at room temperature in dichloromethane. The desired hexahydropyrimidine structures were confirmed on the basis of their UV-Visible, elemental analysis, FT-IR,1H-NMR, TG/DTG and EI-MS data. Hirschfield and DFT/B3LYP theoretical analyses were performed and their output results were compared to experimental data. - 2019, Iranian Institute of Research and Development in Chemical Industries. All rights reserved. |
| Sponsor | The authors extend their appreciation to the Deanship of Scientific Research at King Saud University for funding the work through the research group project Number (RGP-257-1435-1436). |
| Language | en |
| Publisher | Iranian Institute of Research and Development in Chemical Industries |
| Subject | DFT Hexahydropyrimidine Hirschfield surface NMR |
| Type | Article |
| Pagination | 59-68 |
| Issue Number | 4 |
| Volume Number | 38 |
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