1,3-di-[N¹-2-pyrimidinylsulfanilamide]-2,4-di[aminoacetic acid]-2,4-dichlorocyclodiphosph[V]azane | 935510-08-0

• 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-[N¹-2-pyrimidinylsulfanilamide]-2,4-di[aminoacetic acid]-2,4-dichlorocyclodiphosph[V]azane
• 英文别名: 4-[5,7-dichloro-3,10-dioxo-12-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,11-dioxa-1,6,8,12-tetraza-5lambda5,7lambda5-diphosphadispiro[4.1.47.15]dodecan-6-yl]-N-pyrimidin-2-ylbenzenesulfonamide；4-[5,7-dichloro-3,10-dioxo-12-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,11-dioxa-1,6,8,12-tetraza-5λ5,7λ5-diphosphadispiro[4.1.47.15]dodecan-6-yl]-N-pyrimidin-2-ylbenzenesulfonamide
• CAS: 935510-08-0
• 化学式: C₂₄H₂₂Cl₂N₁₀O₈P₂S₂
• 分子量: 775.486
• InChiKey: KKUVUWBNQAHZQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  244
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  1,3-di-[N¹-2-pyrimidinylsulfanilamide]-2,4-di[aminoacetic acid]-2,4-dichlorocyclodiphosph[V]azane 、 水 、 三氯化铁 以 乙醇 为溶剂， 以58%的产率得到[(FeCl3)2(1,3-di-[N1-2-pyrimidinylsulfanilamide]-2,4-di-[diaminoacetic acid]-2,4-dichlorocyclodiphosph(V)azane)(H2O)2]
  参考文献：
  名称：

  Preparation and spectroscopic characterization of novel cyclodiphosph(V)azane of N1-2-pyrimidinylsulfanilamide complexes

  摘要：

  Hexachlorocyclophosph(V)azane of sulfadiazine, (sulfupyrimidine) [N'-2-pyrimidinylsulfanilamide] (H2L1), was prepared and reacted with sulfur and glycine to give (H2L2) and (H2L3) ligands, respectively. The prepared ligands; H2L1, H2L2 and H2L3, react in 1:2 [ligands]: [metal ions] molar ratio with transition metals to give coloured complexes in a relatively good yields. The complexes were characterized using different physicochemical techniques, namely elemental analyses, IR, UV-vis, mass, H-1 NMR, molar conductance, magnetic, solid reflectance and thermal analysis. The spectral data reveal that all the ligands behave as neutral bidentate ligands and coordinated to the metal ions via pyrimidine-N and enolic sulfonamide OH. The molar conductance data reveal that the complexes are non-electrolytes while UV-vis, solid reflectance and magnetic moment data have been shown that the complexes have octahedral geometry. The thermal behaviour of the complexes is studied and the thermodynamic activation parameters are calculated. The ligands and their complexes show high to moderate bactericidal activity. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.04.032
• 作为产物：
  描述：

  1,3-di[N¹-2-pyrimidinylsulfanilamide]-2,2,2,4,4,4-hexachlorocyclodiphosph(V)azane 、 聚甘氨酸 以 乙腈 为溶剂， 反应 3.0h， 以60%的产率得到1,3-di-[N¹-2-pyrimidinylsulfanilamide]-2,4-di[aminoacetic acid]-2,4-dichlorocyclodiphosph[V]azane
  参考文献：
  名称：

  Preparation and spectroscopic characterization of novel cyclodiphosph(V)azane of N1-2-pyrimidinylsulfanilamide complexes

  摘要：

  Hexachlorocyclophosph(V)azane of sulfadiazine, (sulfupyrimidine) [N'-2-pyrimidinylsulfanilamide] (H2L1), was prepared and reacted with sulfur and glycine to give (H2L2) and (H2L3) ligands, respectively. The prepared ligands; H2L1, H2L2 and H2L3, react in 1:2 [ligands]: [metal ions] molar ratio with transition metals to give coloured complexes in a relatively good yields. The complexes were characterized using different physicochemical techniques, namely elemental analyses, IR, UV-vis, mass, H-1 NMR, molar conductance, magnetic, solid reflectance and thermal analysis. The spectral data reveal that all the ligands behave as neutral bidentate ligands and coordinated to the metal ions via pyrimidine-N and enolic sulfonamide OH. The molar conductance data reveal that the complexes are non-electrolytes while UV-vis, solid reflectance and magnetic moment data have been shown that the complexes have octahedral geometry. The thermal behaviour of the complexes is studied and the thermodynamic activation parameters are calculated. The ligands and their complexes show high to moderate bactericidal activity. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.04.032