New Cd(II) and Hg(II) complexes of five previously known dithiophosphonic acids ((p-MeO-C6H4)PS(SH)(OR), HL n , (n= 1-5); R= 3-pentyl-, HL 1 ; R=1-phenyl-1-propyl-, HL 2 ; R= 4-tertbutylbenzyl-, HL 3 ; R= diphenylmethyl-, HL 4 ; R= 4-tert-butylcyclohexyl-, HL 5 ) were prepared and characterized. To do this, the dithiophosphonic acids involved were treated with stoichiometric amount of the corresponding metal salts in methyl alcohol. The complexes came of as powdery crystals and were recrystallized from chloroform. The pure complexes were characterized by using elemental analyses as well as mass-(ESI), FTIR-, Raman-, NMR-( 1 H, 13 C, 31 P) spectroscopies.
The first synthesis of 2,4‐bis(3,4‐dimethoxyphenyl)‐1,3‐dithia‐2,4‐diphosphetane 2,4‐disulfide (SAV‐A1 reagent) was achieved. Seven oxo‐alkyl esters (HLn) were synthesized thereof. Ni(II) complexes ([Ni(Ln)2]) of these ligands were prepared in ethanol. The structures were identified by spectral studies. Ni(II) complexes were unambiguously determined by X‐ray crystallography. In addition, the ligands and their Ni(II) complexes were tested on two different human cancer cell lines, including liver and colon. Moreover, density functional theory (DFT) calculations of the Ni(II) complexes were performed, and the molecular docking studies of these compounds with liver cancer protein, PDB ID: 3WZE and colon cancer antigen proteins, ID 2HQ6 were presented to investigate and predict potential interactions.
Two novel perthiophosphonic acid anhydrides, 2,4-bis(R x,y)-1,3-dithia-2,4-diphosphetane 2,4disulfide [(R x,y-P(S)S)2; R x =3-methoxytolyl (SAV-B1) and R y =2-methoxytolyl (SAV-B2)] were synthesized. From the reaction of SAV-B1 and SAV-B2 with alcohols, four new dithiophosphonic acids [HS2P(R x,y)(ORn)] (Rn; R1=ethyl R2=2-propyl) were prepared. These acids were converted to corresponding ammonium salts, [NH4][S2P(R x,y)(ORn)]. The ammonium salts were further reacted with NiCl2.6H2O to prepare four new dithiophosphonato nickel(II) complexes, [Ni(S2P(R x,y)(ORn))2]. The ligands and complexes were characterized by elemental analyses, IR, ESI-MS, 1D 1 H, 13 C, 31 P NMR and 2D HSQC techniques. Complementary structural information was provided by the HSQC spectrum of the [NH4][S2P(R x,y)(OR2)]. The structure of the perthiophosphonic acid anhydrides was deduced from the structures of dithiophosphonates thereof.
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