An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package

Commercially available 4-nitroimidazole can be transformed in a few simple steps into 4-aminoimidazoyl-5-carboximes, from which the respective purine mono-1-oxides may be synthesized. The N→O functionality in these products significantly changes the electron density in the purine skeleton and conseq...

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Autor principal: Ostrowski, Stanisław
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2003
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6146875/
http://dx.doi.org/10.3390/80900649
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author Ostrowski, Stanisław
author_facet Ostrowski, Stanisław
author_sort Ostrowski, Stanisław
collection PubMed
description Commercially available 4-nitroimidazole can be transformed in a few simple steps into 4-aminoimidazoyl-5-carboximes, from which the respective purine mono-1-oxides may be synthesized. The N→O functionality in these products significantly changes the electron density in the purine skeleton and consequently, the determination of the (1)H- and (13)C-NMR spectra of these simple compounds is somewhat troublesome. The use of the ACD/Labs software package for this purpose is discussed.
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spelling pubmed-61468752018-11-19 An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package Ostrowski, Stanisław Molecules Article Commercially available 4-nitroimidazole can be transformed in a few simple steps into 4-aminoimidazoyl-5-carboximes, from which the respective purine mono-1-oxides may be synthesized. The N→O functionality in these products significantly changes the electron density in the purine skeleton and consequently, the determination of the (1)H- and (13)C-NMR spectra of these simple compounds is somewhat troublesome. The use of the ACD/Labs software package for this purpose is discussed. MDPI 2003-08-15 /pmc/articles/PMC6146875/ http://dx.doi.org/10.3390/80900649 Text en © 2003 by MDPI (http://www.mdpi.org). Reproduction is permitted for noncommercial purposes.
spellingShingle Article
Ostrowski, Stanisław
An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package
title An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package
title_full An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package
title_fullStr An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package
title_full_unstemmed An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package
title_short An Attempt to Assign the NMR Spectra in 7-Methyl- and 7-Benzyl-substituted 7H-Purine 1-Oxides Using the ACD/Labs Software Package
title_sort attempt to assign the nmr spectra in 7-methyl- and 7-benzyl-substituted 7h-purine 1-oxides using the acd/labs software package
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6146875/
http://dx.doi.org/10.3390/80900649
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