1,3-di[(N-5-methyl-3-isoxazolyl)sulfanilamide]-2,2,2,4,4,4-hexachlorocyclodiphosph(V)azane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-di[(N-5-methyl-3-isoxazolyl)sulfanilamide]-2,2,2,4,4,4-hexachlorocyclodiphosph(V)azane
• 英文别名: 4-[2,2,2,4,4,4-hexachloro-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-1,3,2lambda5,4lambda5-diazadiphosphetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide；4-[2,2,2,4,4,4-hexachloro-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-1,3,2λ5,4λ5-diazadiphosphetidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
• 化学式: C₂₀H₁₈Cl₆N₆O₆P₂S₂
• 分子量: 777.197
• InChiKey: GZPUPNPVZQCUIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  168
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  N-(5-甲基-3-异恶唑基)苯磺酰胺 在 五氯化磷 作用下， 以 苯 为溶剂， 反应 3.0h， 以70%的产率得到1,3-di[(N-5-methyl-3-isoxazolyl)sulfanilamide]-2,2,2,4,4,4-hexachlorocyclodiphosph(V)azane
  参考文献：
  名称：

  New Cyclodiphosph(V)azane Complexes of Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and UO₂ (II): Preparation, Characterization, and Biological Activity Studies

  摘要：

  Hexachlorocyclodiphosph(V)(azane of salfamethoxazole, H2L, reacts with stoichiometric amounts of transition metal salts such as Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and UO2(II) to afford coloured complexes in a moderate to high yield. The structare of the isolated complexes was suggested based oil elemental analyses, IR, molar conductance, UV-Vis, H-1 NMR, mass spectra, solid reflectance, magnetic susceptibility measurements, and thermogravimetric analysis (TGA). Front the elemental analyses data, 1:29 (H2L:M) ratio is suggested and the complexes are found to hat)e the general formula [(MXn)(2)(H2L)(H2O)(m)] where M = Fe(III) (X = Cl, n = 3, m = 2), Co(II) (X = Cl, n = 2, m = 4), Ni(II) (X = Cl, n = 2, m = 4), Cu(II) (X =Cl, n = 2, m = 4), Zn(II) (X Cl, n = 2, m = 4), and UO2(II) (X = NO3, n = 2, m = 0). The IR and H-1 NMR spectral data revealed that H2L behaves as a neutral bidentate ligand coordinated to the metal ions through enolic sulfonamide OH and isoxazole N atoms. The UV-Vis, solid reflectance, and magnetic-moment data have shown that the ligands are coordinated to the metal ions in all octahedral manner: The molar conductance data show, that the complexes are nonelectrolytes. The thermal data reveal that the coordinated it)(iter and anion molecules are lost in the first two steps while the ligand molecules are lost in the subsequent steps, leaving metal oxide residues. Different thermodynamic activation parameters are calculated using the Coats-Redfern equation. The prepared complexes showed high to moderate bactericidal activity compared with the ligand.

  DOI：

  10.1080/104265090884238

文献信息

• New Cyclodiphosph(V)azane Complexes of Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and UO₂ (II): Preparation, Characterization, and Biological Activity Studies
  作者：Gehad G. Mohamed

  DOI：10.1080/104265090884238

  日期：2005.7.1

  Hexachlorocyclodiphosph(V)(azane of salfamethoxazole, H2L, reacts with stoichiometric amounts of transition metal salts such as Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and UO2(II) to afford coloured complexes in a moderate to high yield. The structare of the isolated complexes was suggested based oil elemental analyses, IR, molar conductance, UV-Vis, H-1 NMR, mass spectra, solid reflectance, magnetic susceptibility measurements, and thermogravimetric analysis (TGA). Front the elemental analyses data, 1:29 (H2L:M) ratio is suggested and the complexes are found to hat)e the general formula [(MXn)(2)(H2L)(H2O)(m)] where M = Fe(III) (X = Cl, n = 3, m = 2), Co(II) (X = Cl, n = 2, m = 4), Ni(II) (X = Cl, n = 2, m = 4), Cu(II) (X =Cl, n = 2, m = 4), Zn(II) (X Cl, n = 2, m = 4), and UO2(II) (X = NO3, n = 2, m = 0). The IR and H-1 NMR spectral data revealed that H2L behaves as a neutral bidentate ligand coordinated to the metal ions through enolic sulfonamide OH and isoxazole N atoms. The UV-Vis, solid reflectance, and magnetic-moment data have shown that the ligands are coordinated to the metal ions in all octahedral manner: The molar conductance data show, that the complexes are nonelectrolytes. The thermal data reveal that the coordinated it)(iter and anion molecules are lost in the first two steps while the ligand molecules are lost in the subsequent steps, leaving metal oxide residues. Different thermodynamic activation parameters are calculated using the Coats-Redfern equation. The prepared complexes showed high to moderate bactericidal activity compared with the ligand.