A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F08%3A00007968" target="_blank" >RIV/00216275:25310/08:00007968 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
A 15N NMR study of tautomerism in dimethyl dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
Original language description
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 15Ndoubly 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.
Czech name
15N NMR studie tautomerie dimethyl dihydro-1,2,4,5-tetrazin-3,6-dikarboxylátu
Czech description
15N NMR studie tautomerie dimethyl dihydro-1,2,4,5-tetrazin-3,6-dikarboxylátu

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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