((2,6-bis(3-tert-butyl-5-methyl-2-oxybenzyl)-4-tert-butyl-anisole)Zr)2(μ-H)2(μ-CHPh) | 873583-70-1

• 英文名称: ((2,6-bis(3-tert-butyl-5-methyl-2-oxybenzyl)-4-tert-butyl-anisole)Zr)2(μ-H)2(μ-CHPh)
• CAS: 873583-70-1
• 化学式: C₇₇H₁₀₀O₆Zr₂
• 分子量: 1304.09
• InChiKey: UPUNZDBUPMCJOB-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：

  ((2,6-bis(3-tert-butyl-5-methyl-2-oxybenzyl)-4-tert-butyl-anisole)Zr)2(μ-H)2(μ-CHPh) 生成 ((2,6-bis(3-tert-butyl-5-methyl-2-oxybenzyl)-4-tert-butyl-anisole)Zr)2(μ-O)2 、 一氧化碳
  参考文献：
  名称：

  A Synthetic Cycle for H₂/CO Activation and Allene Synthesis Using Recyclable Zirconium Complexes

  摘要：

  The zirconium complexes supported by the anisole-bridged bis(phenoxide) ligands serve as an easily recycled auxiliary for converting H2 and CO into allene and hexamethyldisiloxane under mild conditions. Hydrogenolysis of the zirconium benzyl complexes followed by treatment with CO led to formation of oxo-bridged complexes and allene. Deoxygenation of the resulting oxo-bridged complexes with trimethylsilyltrifluoromethanesulfonate and trimethylsilyl chloride and subsequent treatment with benzylmagnesium chloride re-formed the starting benzyl complexes.

  DOI：

  10.1021/ja0567079
• 作为产物：
  描述：

  (2,6-bis(3-tert-butyl-5-methyl-2-oxybenzyl)-4-tert-butyl-anisole)Zr(CH2Ph)2 、 氢气 以 甲苯 为溶剂， 生成 ((2,6-bis(3-tert-butyl-5-methyl-2-oxybenzyl)-4-tert-butyl-anisole)Zr)2(μ-H)2(μ-CHPh)
  参考文献：
  名称：

  A Synthetic Cycle for H₂/CO Activation and Allene Synthesis Using Recyclable Zirconium Complexes

  摘要：

  The zirconium complexes supported by the anisole-bridged bis(phenoxide) ligands serve as an easily recycled auxiliary for converting H2 and CO into allene and hexamethyldisiloxane under mild conditions. Hydrogenolysis of the zirconium benzyl complexes followed by treatment with CO led to formation of oxo-bridged complexes and allene. Deoxygenation of the resulting oxo-bridged complexes with trimethylsilyltrifluoromethanesulfonate and trimethylsilyl chloride and subsequent treatment with benzylmagnesium chloride re-formed the starting benzyl complexes.

  DOI：

  10.1021/ja0567079