Quantum chemical study of the formation of imidazolaphane system in the reaction of 2-methylimidazole with 1,3-diiodopropan-2-one
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| 024 | 7 | 0 | |a 10.1134/S1070428015060135 |2 doi |
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| 245 | 0 | 0 | |a Quantum chemical study of the formation of imidazolaphane system in the reaction of 2-methylimidazole with 1,3-diiodopropan-2-one |h [Elektronische Daten] |c [V. Shagun, N. Yarosh, L. Shagun] |
| 520 | 3 | |a The formation of 12,52,92-trimethyl-3,7,11-trioxo-1,5,9(1,3)-triimidazolacyclododecaphane-11,51,91-triium triodide by the alkylation of 2-methylimidazole with 1,3-diiodopropan-2-one has been simulated by quantum chemical calculations at the DFT B3LYP level of theory. The reaction involves quaternization of the more nucleophilic N3 atom of 2-methyl-1H-imidazole with 1,3-diiodopropan-2-one and subsequent autoalkylation of the quaternization product. | |
| 540 | |a Pleiades Publishing, Ltd., 2015 | ||
| 700 | 1 | |a Shagun |D V. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | |
| 700 | 1 | |a Yarosh |D N. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | |
| 700 | 1 | |a Shagun |D L. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | |
| 773 | 0 | |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/6(2015-06-01), 893-898 |x 1070-4280 |q 51:6<893 |1 2015 |2 51 |o 11178 | |
| 856 | 4 | 0 | |u https://doi.org/10.1134/S1070428015060135 |q text/html |z Onlinezugriff via DOI |
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| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
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| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1134/S1070428015060135 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Shagun |D V. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Yarosh |D N. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Shagun |D L. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/6(2015-06-01), 893-898 |x 1070-4280 |q 51:6<893 |1 2015 |2 51 |o 11178 | ||