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Omrani R.,Laboratory of Heterocyclic and Organic Synthesis | Ben Amor F.,Laboratory of Materials and Crystalloid Chemistry | Bahri M.,Laboratory of Atomic Spectroscopic | Efrit M.L.,Laboratory of Heterocyclic and Organic Synthesis | Ben Akacha A.,Laboratory of Heterocyclic and Organic Synthesis
Phosphorus, Sulfur and Silicon and the Related Elements | Year: 2015

The reaction of isothiocyanates with dialkylphosphites in the presence of strong base yielded the phosphonothioamides 2. Treatment of 2 with methyl iodide afforded the corresponding thioimidates 3 with high yields. All compounds were characterized on the basis of their IR, NMR Spectroscopy (1H, 13C, 19F, and 31P) and in some cases by elemental analysis, HRMS data, and calculations using Density Functional Theory (DFT)-B3LYP//6-311G∗∗ and evolution study by 31P-NMR in an external lock with D2O. The conformational molecular structure of compounds 2d and 2f were determined by single-crystal X-ray diffraction analysis. Copyright © 2015 Taylor & Francis Group, LLC. Source

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