Preferential protonation and methylation site of thiopyrimidine derivatives in solution: NMR data

dc.contributor.author	Kozlov A.
dc.contributor.author	Semenov V.
dc.contributor.author	Mikhailov A.
dc.contributor.author	Aganov A.
dc.contributor.author	Smith M.
dc.contributor.author	Reznik V.
dc.contributor.author	Latypov S.
dc.date.accessioned	2018-09-18T20:23:00Z
dc.date.available	2018-09-18T20:23:00Z
dc.date.issued	2008
dc.identifier.issn	1520-6106
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/139308
dc.description.abstract	Protonation (alkylation) sites of several thiopyrimidine derivatives were directly determined by 1H-15N (1H- 13C) heteronuclear single quantum coherence/heteronuclear multiple bond correlation methods, and it was found that in all compounds, protonation (methylation) occurred at the N1 nitrogen. GIAO DFT chemical shifts were in full agreement with the determined tautomeric structures. According to ab initio calculations, the stability of the different protonated forms and methylated derivatives was favored due to thermodynamic control and not kinetic control. © 2008 American Chemical Society.
dc.relation.ispartofseries	Journal of Physical Chemistry B
dc.title	Preferential protonation and methylation site of thiopyrimidine derivatives in solution: NMR data
dc.type	Article
dc.relation.ispartofseries-issue	10
dc.relation.ispartofseries-volume	112
dc.collection	Публикации сотрудников КФУ
dc.relation.startpage	3259
dc.source.id	SCOPUS15206106-2008-112-10-SID46949095218

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Публикации сотрудников КФУ Scopus [24551]
Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.