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Revista de Chimie (Rev. Chim.), Year 2006, Volume 57, Issue 10,





Synthesis and Mathematic Models of the HPLC Behavior of Phosphoramidic Derivatives

Abstract:

Phosphoramidic derivatives with general formula (R’)2P(O)-NH-R” (where R’ is C2H5O- C4H9O-, C6H5O-, C6H5CH2O-, C8H17O-, C10H21O-, C8H17O-, and R’’ is -C6H5, -C6H4NO2) were prepared through the general reaction: (R’)2P(O)-H + H2N-R ® (R’)2P(O)-NH-R’’ The products were separated by liquid chromatography. The HPLC system used in this work was a Jasco PU-1580 solvent delivery system and a MD-1510 UV/VIS diode array detector, with a 10 mL flow cell. A reversed-phase Nucleosil C18 column (25 cm x 0.4 mm, mparticle size) was used for separation with 1mL/min methanol as mobile phase. Samples were introduced in column with a Reodyne 7725 injector equipped with a 10 mL external loop. A Borwin chromatography workstation (system control version 1.5) was used to control the operation of HPLC, to obtain the chromatogram, and to perform data processing (calculation of retention time and capacity factor). The inert component used in calculation of capacity factor was uracil. The modelling of synthesized molecules was performed with HyperChem 6.1 software, using the AM1 hamiltonian in the geometry optimization phase. The convergence criteria SCF was fixed at 10-5, and the stop gradient for geometrical optimization was 0.01 (Polak - Ribiere algorithm). Relationships between molecular descriptors and chromatographic behavior of aforementioned compounds were analyzed. Keywords: phosphoramidic derivatives, HPLC, molecular descriptors, mathematical modelling


Issue: 2006, Volume 57, Issue 10
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