Reactions of heterocumulenes with organometallic reagents: XXII. Quantum chemical study of structural transformations of benzylsulfanyl-substituted 2-aza-1,3,5-triene by the action of superbases. Concurrent formation of 4,5-dihydro-3 H -azepine and 4,5-dihydro-1,3-thiazole
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| 024 | 7 | 0 | |a 10.1134/S1070428015040077 |2 doi |
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| 245 | 0 | 0 | |a Reactions of heterocumulenes with organometallic reagents: XXII. Quantum chemical study of structural transformations of benzylsulfanyl-substituted 2-aza-1,3,5-triene by the action of superbases. Concurrent formation of 4,5-dihydro-3 H -azepine and 4,5-dihydro-1,3-thiazole |h [Elektronische Daten] |c [V. Shagun, N. Nedolya] |
| 520 | 3 | |a The formation of 4,5-dihydro-3H-azepine and/or 4,5-dihydro-1,3-thiazole structures in the reaction of 1-(benzylsulfanyl)-2-methoxy-N-(propan-2-ylidene)buta-1,3-dien-1-amine (2-aza-1,3,5-triene) with potassium tert-butoxide or lithium diisopropylamide has been analyzed by B3LYP/6-31G(d,p) quantum chemical calculations. According to the calculations, the reaction with potassium tert-butoxide gives 4,5-dihydro-3H-azepine and 4,5-dihydro-1,3-thiazole derivatives with almost equal probabilities, whereas lithium diisopropylamide clearly favors the formation of thiazole ring. | |
| 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 Nedolya |D N. |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 51/4(2015-04-01), 504-512 |x 1070-4280 |q 51:4<504 |1 2015 |2 51 |o 11178 | |
| 856 | 4 | 0 | |u https://doi.org/10.1134/S1070428015040077 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1134/S1070428015040077 |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 Nedolya |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 773 |E 0- |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/4(2015-04-01), 504-512 |x 1070-4280 |q 51:4<504 |1 2015 |2 51 |o 11178 | ||