Study of the nitration of di-n-octylcrown-6 calix[4]arene using LC–MS, NMR, and molecular modelling

Study of the nitration of di-n-octylcrown-6 calix[4]arene using LC–MS, NMR, and molecular modelling

The selective HNO 3 nitration of di-n-octylcrown-6 calix[4]arene using different conditions, studied with LC–MS and NMR ( 1 H and 13 C) spectroscopic techniques, lead to the identification of most of the expected nitro derivative isomeric compounds. The formation of these isomers under acidic and ra...

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Veröffentlicht in:Canadian journal of chemistry 2005-08, Vol.83 (8), p.1098-1113
Hauptverfasser: Jankowski, C K, Van Calsteren, M- R, Aychet, N, Dozol, J F, Moulin, C, Lamouroux, C
Format: Artikel
Sprache:eng
Schlagworte:
Ions
Mass spectrometry
Radioactive materials
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Zusammenfassung:The selective HNO 3 nitration of di-n-octylcrown-6 calix[4]arene using different conditions, studied with LC–MS and NMR ( 1 H and 13 C) spectroscopic techniques, lead to the identification of most of the expected nitro derivative isomeric compounds. The formation of these isomers under acidic and radiolytic conditions is discussed with the help of molecular modelling.Key words: calix crown compounds, nitration of calixarenes, NMR of isomeric nitrocalixarenes, LC-ESI-MS.
ISSN:0008-4042
1480-3291
DOI:10.1139/v05-126