15N NMR studie tautomerie dimethyl dihydro-1,2,4,5-tetrazin-3,6-dikarboxylátu

Kód výsledku v 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>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CC - Organická chemie

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2008

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Tetrahedron Letters

ISSN

0040-4039

e-ISSN

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Svazek periodika

49

Číslo periodika v rámci svazku

květen

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

3

Strana od-do

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Kód UT WoS článku

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EID výsledku v databázi Scopus

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