[(((CH3)5C5)Ti)3(t-BuPO3)2(t-BuPO2(OH))(μ-O)2] | 210180-70-4

• 英文名称: [(((CH3)5C5)Ti)3(t-BuPO3)2(t-BuPO2(OH))(μ-O)2]
• CAS: 210180-70-4
• 化学式: C₄₂H₇₃O₁₁P₃Ti₃
• 分子量: 990.596
• InChiKey: BTOVTIKTJGFGHB-UHFFFAOYSA-I

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：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  carbanide,cyclopenta-1,3-diene,titanium(4+) 、 叔丁基磷酸 以 四氢呋喃 为溶剂， 以20%的产率得到[(((CH3)5C5)Ti)3(t-BuPO3)2(t-BuPO2(OH))(μ-O)2]
  参考文献：
  名称：

  Novel Organic-Soluble Molecular Titanophosphonates with Cage Structures Comparable to Titanium-Containing Silicates

  摘要：

  Reactions of Cp*TiMe3 (Cp* = C5Me5) with methyl-, phenyl- and tert-butylphosphonic acids [RP(O)(OH)(2)] (R = Me, Ph, t-Bu) yield the air-stable titanophosphonates [(Cp*TiO3PR)(4)(mu-O)(2)] (R = Me (1), Ph (2)) and [(Cp*Ti)(3)(t-BuPO3)(2)(t-BuPO2(OH))(mu-O)(2)] (3), which are freely soluble in organic solvents. Alternatively, the reaction between Cp*TiCl3 and methylphosphonic acid was also found to produce 1. The titanophosphonates mentioned are the first examples of organic-soluble molecular transition metal phosphonate cages.

  DOI：

  10.1021/om971045k