CHEMICAL SHIFT NON-EQUIVALENCE IN THE NMR SPECTROSCOPY OF DIALKYLα-HYDROXYBENZYL-AND DIALKYLα-METHOXYBENZYLPHOSPHONATES AND THE CRYSTAL STRUCTURE OF DIMETHYLα-CHLOROMETHYL-αHYDROXYBENZYLPHOSPHONATE

Dimethyl (1-hydroxy-1,2-diphenylethyl)phosphonate

“…1) the coordination around the P atom is a distorted tetrahedral. The crystal structure of dimethyl α-chloromethyl-α -hydroxybenzylphosphonate, (II) (Hudson et al, 1993) and C 24 H 26 NO 4 P, (III) (Wroblewski et al, 2000) have also been reported, in which both of them have similar coordinations around the C-atom having α-hydroxy group. In (I), the benzene rings A (C1-C6) and B (C9-C14) are oriented at a dihedral angle of 72.28 11 (Table 1) result in the formations of five-and six-membered rings C (O1/C1/C6/C7/H6) and D (P1/O4/C1/C2/C7/H2), respectively, having planar and boat conformations.…”

Chirality Sensing of α-Hydroxyphosphonates by N-tert-Butyl Sulfinyl Squaramide

“…This is in good agreement with experimental data (−3.7 to −3.8 kcal/mol) . The geometries of the racemic dimer of 2a were calculated since previous studies showed that α-hydroxy­phosphonates exist as hydrogen-bonded dimers in the solid state and that the dimers may persist in low polarity solvents . The calculated binding free energy of dimer 2a is −0.8 kcal/mol, which suggests that the dimer and monomer 2a coexist in chloroform.…”