(OH)2Ti(IV)(acetylsalicylate)2 | 294868-46-5

• 分子结构分类: 有机化合物
• 英文名称: (OH)2Ti(IV)(acetylsalicylate)2
• CAS: 294868-46-5
• 化学式: C₁₈H₁₆O₁₀Ti
• 分子量: 440.199
• InChiKey: WHBHKBBDFUMHLV-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (OH)2Ti(IV)(acetylsalicylate)2 在 reduced coenzyme I (NADH) 、 tris-HCl buffer 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 氧气 、 大鼠1,25-二羟基维生素D(1,25(OH)2D)试剂盒
  参考文献：
  名称：

  STUDY OF THE SYNTHESES AND ANTIOXIDATIVE ACTIONS OF (η-C₅H₅)₂Ti(IV)(Asp)₂ AND (η-C₅H₅)₂Ti(IV)(Sal)₂

  摘要：

  In this paper two metalorganic complexes of dicyclopentadienyltitanium(IV) with aspirin and dicyclopentadienyltitanium(IV) with salicylic acid have been synthesized. Their chemical compositions and structures have been studied by elemental analyses, XPS, IR, H-1 NMR. The formulas of the complexes were confirmed as (CP)(2)Ti(ASP)(2) and (CP)(2)Ti(Sal)(2) [Cp = cyclopentadienyl ion (eta (5)-C5H5), Asp = anion of aspirin (acetylsalicylate ion,. CH3CO2C6H4COO-), Sal = salicylate anion, C6H4(OH)COO-], in which the carboxyl oxygen atoms of Asp and Sal are coordinated to Ti(IV) in a monodentate manner. It was found that the complexes of Sal or Asp and cyclopentadienyl ion have a "synergistic action" on the elimination of superoxide radicals (O-2(-.)) and hydroxyl radicals (OH.). The possible mechanism of these reactions has been discussed.

  DOI：

  10.1081/sim-100106864
• 作为产物：
  描述：

  、 sodium O-acetylsalicylate 以92%的产率得到(OH)2Ti(IV)(acetylsalicylate)2
  参考文献：
  名称：

  STUDY OF THE SYNTHESES AND ANTIOXIDATIVE ACTIONS OF (η-C₅H₅)₂Ti(IV)(Asp)₂ AND (η-C₅H₅)₂Ti(IV)(Sal)₂

  摘要：

  In this paper two metalorganic complexes of dicyclopentadienyltitanium(IV) with aspirin and dicyclopentadienyltitanium(IV) with salicylic acid have been synthesized. Their chemical compositions and structures have been studied by elemental analyses, XPS, IR, H-1 NMR. The formulas of the complexes were confirmed as (CP)(2)Ti(ASP)(2) and (CP)(2)Ti(Sal)(2) [Cp = cyclopentadienyl ion (eta (5)-C5H5), Asp = anion of aspirin (acetylsalicylate ion,. CH3CO2C6H4COO-), Sal = salicylate anion, C6H4(OH)COO-], in which the carboxyl oxygen atoms of Asp and Sal are coordinated to Ti(IV) in a monodentate manner. It was found that the complexes of Sal or Asp and cyclopentadienyl ion have a "synergistic action" on the elimination of superoxide radicals (O-2(-.)) and hydroxyl radicals (OH.). The possible mechanism of these reactions has been discussed.

  DOI：

  10.1081/sim-100106864