dihydroxobis(maltolato)titanium(IV) | 936918-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: dihydroxobis(maltolato)titanium(IV)
• 英文别名: Ti(3-hydroxy-2-methyl-4-pyrone-H)2(OH)2
• CAS: 936918-48-8；937026-75-0
• 化学式: C₁₂H₁₂O₈Ti
• 分子量: 332.102
• InChiKey: GIVCPWNVGTZEBX-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
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• 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：

  dihydroxobis(maltolato)titanium(IV) 、 水 以 重水 为溶剂， 生成 [Ti4(3-hydroxy-2-methyl-4-pyrone-H)8(μ-O)4]*5.5H2O
  参考文献：
  名称：

  Synthesis, solution and solid state structure of titanium–maltol complex

  摘要：

  The reaction of Cp2TiCl2 with two equivalents of maltol (3-hydroxy-2-methyl-4-pyrone) in water, at room temperature and pH of 5.4, leads to a complete replacement of Cp and chloride ligands affording, Ti(maltolato)(2)(OH)(2). The complex has been characterized by IR, NMR and ESI-MS spectroscopic and cyclic voltammetry methods. In DMSO-d(6) solution, the complex shows two isomers in a ratio of 4:1, in which one OH signal can be identified per isomer. This suggests that in solution the complex is monomeric, most likely a chiral cis-Ti(maltolato)(2)(OH)(2) and trans-Ti(maltolato)(2)(OH)(2). The monomeric nature of the complex (in water/methanol 1: 1) was verified by ESI-MS spectroscopy, showing a parent peak at 329 m/z. Electrochemical behavior of Ti(maltolato)(2)(OH)(2)using cyclic voltammetry experiments showed the complex undergoes irreversible reduction in aprotic solvents. In D2O solution, at pH of 8.4, the H-1 NMR spectrum of the complex shows a mixture of monomer and tetramer Ti(IV)-maltol complexes in a ratio of 1:1. The crystallization of Ti(maltolato)(2)(OH)(2) at pH of 8.4 leads to the formation of [Ti-4(maltolato)(8)(mu-O-4)] center dot 18H(2)O. A single crystal of [Ti-4(maltolato)(8)(mu-O-4)] center dot 18H(2)O was analyzed by X-ray diffraction methods. Solid state structure determination of the Ti-maltol complex showed to be tetrameric, containing two bridging oxides (in cis position) and two bidentate maltol ligands per titanium in a pseudo-octahedral coordination geometry. Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2006.10.042
• 作为产物：
  描述：

  麦芽醇 、 二氯二茂钛 、 水 在 NaOH 作用下， 以 水 为溶剂， 以60%的产率得到dihydroxobis(maltolato)titanium(IV)
  参考文献：
  名称：

  Synthesis, solution and solid state structure of titanium–maltol complex

  摘要：

  The reaction of Cp2TiCl2 with two equivalents of maltol (3-hydroxy-2-methyl-4-pyrone) in water, at room temperature and pH of 5.4, leads to a complete replacement of Cp and chloride ligands affording, Ti(maltolato)(2)(OH)(2). The complex has been characterized by IR, NMR and ESI-MS spectroscopic and cyclic voltammetry methods. In DMSO-d(6) solution, the complex shows two isomers in a ratio of 4:1, in which one OH signal can be identified per isomer. This suggests that in solution the complex is monomeric, most likely a chiral cis-Ti(maltolato)(2)(OH)(2) and trans-Ti(maltolato)(2)(OH)(2). The monomeric nature of the complex (in water/methanol 1: 1) was verified by ESI-MS spectroscopy, showing a parent peak at 329 m/z. Electrochemical behavior of Ti(maltolato)(2)(OH)(2)using cyclic voltammetry experiments showed the complex undergoes irreversible reduction in aprotic solvents. In D2O solution, at pH of 8.4, the H-1 NMR spectrum of the complex shows a mixture of monomer and tetramer Ti(IV)-maltol complexes in a ratio of 1:1. The crystallization of Ti(maltolato)(2)(OH)(2) at pH of 8.4 leads to the formation of [Ti-4(maltolato)(8)(mu-O-4)] center dot 18H(2)O. A single crystal of [Ti-4(maltolato)(8)(mu-O-4)] center dot 18H(2)O was analyzed by X-ray diffraction methods. Solid state structure determination of the Ti-maltol complex showed to be tetrameric, containing two bridging oxides (in cis position) and two bidentate maltol ligands per titanium in a pseudo-octahedral coordination geometry. Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2006.10.042