About: A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate     Goto   Sponge   NotDistinct   Permalink

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  • 15N NMR studie tautomerie dimethyl dihydro-1,2,4,5-tetrazin-3,6-dikarboxylátu (cs)
  • Dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate can exist either in 1,2- or 1,4-dihydro tautomeric forms. The 15N NMR spectra of dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate were measured at the 15N natural abundance level as well as in 15N doubly labelled selectively and in 15N completely labelled compounds (20% 15N). The J(15N,15N) value was determined in 15N completely labelled compounds (20% 15N) using 1D 15N INADEQUATE and was found to be 12.2 ? 0.2 Hz in deuteriochloroform, acetonitrile-d3, DMSO-d6 and CD3OH. Very similar 15N chemical shifts and 1J(15N,1H) values were also observed in all the solvents. This indicates that compound 1 exists completely in the 1,4-dihydro tautomeric form (i.e., as dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate) in all the solvents tested.
  • Dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate can exist either in 1,2- or 1,4-dihydro tautomeric forms. The 15N NMR spectra of dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate were measured at the 15N natural abundance level as well as in 15N doubly labelled selectively and in 15N completely labelled compounds (20% 15N). The J(15N,15N) value was determined in 15N completely labelled compounds (20% 15N) using 1D 15N INADEQUATE and was found to be 12.2 ? 0.2 Hz in deuteriochloroform, acetonitrile-d3, DMSO-d6 and CD3OH. Very similar 15N chemical shifts and 1J(15N,1H) values were also observed in all the solvents. This indicates that compound 1 exists completely in the 1,4-dihydro tautomeric form (i.e., as dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate) in all the solvents tested. (en)
Title
  • A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
  • 15N NMR studie tautomerie dimethyl dihydro-1,2,4,5-tetrazin-3,6-dikarboxylátu (cs)
  • A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate (en)
skos:prefLabel
  • A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
  • 15N NMR studie tautomerie dimethyl dihydro-1,2,4,5-tetrazin-3,6-dikarboxylátu (cs)
  • A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate (en)
skos:notation
  • RIV/00216275:25310/08:00007968!RIV09-MSM-25310___
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  • 354613
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  • RIV/00216275:25310/08:00007968
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  • Dihydro-1; 2; 4; 5-tetrazine; 15N NMR nJ(15N; 15N); Tautomerism (en)
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  • GB - Spojené království Velké Británie a Severního Irska
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  • [067C05BF30DA]
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  • 49
http://linked.open...iv/tvurceVysledku
  • Lyčka, Antonín
  • Frebort, Štěpán
  • Almonasy, Numan
http://linked.open...n/vavai/riv/zamer
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  • 0040-4039
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  • 25310
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