Heterocumulenes reactions with organometallic reagents XXIII. Quantum-chemical study of structural transformations of (propargylsulfanyl)-substituted 2-Aza-1,3,5-triene treated with potassium tert -butoxide

Verfasser / Beitragende:
[V. Shagun, N. Nedolya]
Ort, Verlag, Jahr:
2015
Enthalten in:
Russian Journal of Organic Chemistry, 51/8(2015-08-01), 1101-1110
Format:
Artikel (online)
ID: 605530483
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024 7 0 |a 10.1134/S1070428015080072  |2 doi 
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245 0 0 |a Heterocumulenes reactions with organometallic reagents XXIII. Quantum-chemical study of structural transformations of (propargylsulfanyl)-substituted 2-Aza-1,3,5-triene treated with potassium tert -butoxide  |h [Elektronische Daten]  |c [V. Shagun, N. Nedolya] 
520 3 |a Quantum-chemical B3LYP/6-31G(d,p) method was applied to the investigation of the formation of 4,5-dihydro-3H-azepine and/or 4,5-dihydro-1,3-thiazole structures from (propargylsulfanyl)-substituted 2-aza-1,3,5-triene at treatment with potassium tert-butoxide. According to the calculation the formation of 4,5-dihydro-1,3-thiazole ring prevailed. 
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 51/8(2015-08-01), 1101-1110  |x 1070-4280  |q 51:8<1101  |1 2015  |2 51  |o 11178 
856 4 0 |u https://doi.org/10.1134/S1070428015080072  |q text/html  |z Onlinezugriff via DOI 
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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 51/8(2015-08-01), 1101-1110  |x 1070-4280  |q 51:8<1101  |1 2015  |2 51  |o 11178