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Use of NMR Spectometry for studying the acetolysis of hexamethylenetetramine. I. The reaction of TAT formation from DAPT
Author(s) -
Ju Chen,
ShaoFang Wang
Publication year - 1984
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.19840090206
Subject(s) - hexamethylenetetramine , acetic anhydride , chemistry , acetylation , reaction rate constant , nuclear magnetic resonance spectroscopy , proton nmr , reaction rate , ammonium acetate , nuclear chemistry , medicinal chemistry , organic chemistry , kinetics , catalysis , biochemistry , physics , quantum mechanics , gene , high performance liquid chromatography
The reaction of forming TAT from DAPT was followed by 1 H NMR spectroscopy. This investigation shows that water or ammonium acetate quickens the reaction and they do take part in the reaction. Reaction intermediates were detected and according to the information obtained by NMR, their structures were postulated to be X or X 1 in the absence or presence of water respectively.The kinetic study further indicated that acetylation of X 1 to TAT is first order in X 1 and in acetic anhydride. In other words, it is a bimolecular reaction. The rate constant k was found to be 1.46 × 10 −4 mol −1 · s −1 .