[Ti6(μ-O)6(O2CPh)6(OCH2C(CH3)3)6] | 640273-99-0

• 英文名称: [Ti6(μ-O)6(O2CPh)6(OCH2C(CH3)3)6]
• CAS: 640273-99-0
• 化学式: C₇₂H₉₆O₂₄Ti₆
• 分子量: 1632.82
• InChiKey: FHTVKKQLUJDQRM-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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

• 作为产物：
  描述：

  titanium tetra-n-propoxide 、 新戊醇 、 [Fe4(μ3-O)2(O2CPh)8(pyridine)2] 以 甲苯 为溶剂， 生成 [Ti6(μ-O)6(O2CPh)6(OCH2C(CH3)3)6]
  参考文献：
  名称：

  The reaction of iron carboxylates with titanium alkoxides. Isolation and structural characterisation of [Ti6(μ3-O)6(O2CPh)6(OCH2C(CH3)3)6]

  摘要：

  The reaction of [Fe-4(mu(3)-O)(2)(O2CPh)(8)(py)(2)] (1) with Ti(OPrn)(4) in toluene yields separate Fe and Ti species each containing both carboxylate and alkoxide groups rather than a bimetallic Fe-Ti complex. The addition of neopentanol to the reaction mixture has enabled [Ti-6(mu(3)-O)(6)(O2CPh)(6)(OCH2C(CH3)(3))(6)] (3) to be isolated and structurally identified. The compound [Ti-6(mu(3)-O)(4)(O2CPh)(8)(OPrn)(8)] (4) has also been characterised and shown not to convert to a {Ti-6(mu(3)-O)(6)}(12+) core compound under the same temperature conditions used in the Fe-Ti reactions. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00242-1