31P NMR AND COMPUTER SIMULATIONS OF THE STRUCTURE OF TRICHLORFON AND ITS DERIVATIVES
N.M. Najafi1, R. Alizadeh2, Z. Talebpour3, A.R. Ghassempour4
1 Department of Chemistry, Faculty of Science, Shahid Beheshti Uinversity
2 Department of Chemistry, Faculty of Science, Shahid Beheshti Uinversity Nanobiotechnology Research Center, Avicenna Research Institute, ACECR
3 Nanobiotechnology Research Center, Avicenna Research Institute, ACECR
4 Department of Chemistry, Faculty of Science, Alzahra Uinversity
n-najafi@cc.sbu.ac.ir
Keywords: trichlorfon derivatives, dichlorvos, phosphorus-31 nuclear magnetic resonance (31P NMR), theoretical study
Pages: 735-739
Abstract
Trichlorfon or O,O-dimethyl-(2,2,2-trichloro-1-hydroxyethyl) phosphonate is an organophosphorus insecticide with cholinesterase inhibitor activity that has been widely used in protection of field and fruit crops. Trichlorfon rearranges to other more toxic organophosphate insecticides (such as dichlorvos at pH 6-8) in aqueous media. Trichlorfon is a thermally labile compound that cannot be easily determined by gas chromatography coupled with mass spectrometry (GC-MS) and has no functional group for sensitive detection by high performance liquid chromatography (HPLC). In this study, 31P dynamic nuclear magnetic resonance is used to elucidate the stability of trichlorfon and derivatives. These spectrums are compared with the theoretical studies with the Gaussian software to determine the stability and identify the structure. Two derivatives are identified by this method.
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