We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Synthesis and Conformational Analysis of [3-(6-Chloropyridazin-3-yl)-3,4-Dihydropyridazino[4,5- b]Quinoxalin-2(1 Н)-yl](Phenyl)Methanone.
- Authors
Karkhut, A.; Bolibrukh, K.; Polovkovych, S.; Khoumeri, O.; Solovyov, O.; Terme, T.; Vanelle, P.; Novikov, V.
- Abstract
[3-(6-Chloropyridazin-3-yl)-3,4-dihydropyridazino[4,5-b]quinoxalin-2(1H)-yl](phenyl)methanone has been synthesized and its two stable forms were isolated. For the establishment of their structures, B3LYP geometry and energy and GIAO/B3LYP NMR calculations of possible conformers using the polarizable continuum model were performed. The differences in calculated spectra allow attributing calculated structures and obtained substances by their H and C NMR. The conformer ratio correlates with their calculated Gibbs energies.
- Subjects
CHEMICAL synthesis; CONFORMATIONAL analysis; QUINOXALINES; CONFORMERS (Chemistry); GIBBS phenomenon; NUCLEAR magnetic resonance
- Publication
Chemistry of Heterocyclic Compounds, 2014, Vol 50, Issue 3, p415
- ISSN
0009-3122
- Publication type
Article
- DOI
10.1007/s10593-014-1489-0