| 937746-91-3

• CAS: 937746-91-3
• 化学式: C₂₄H₅₆O₄Zn₄
• 分子量: 670.266
• InChiKey: FAEITQWYHVVHJD-UHFFFAOYSA-N

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：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  氧气 、 二异丙基锌 在 H₂O 作用下， 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Oxygenation of Simple Zinc Alkyls:  Surprising Dependence of Product Distributions on the Alkyl Substituents and the Presence of Water

  摘要：

  Oxygenation reactions of dialkylzinc solutions have been investigated. Me2Zn reacts with oxygen in the absence of water to give the bis(heterocubane) [(MeZn)(6)Zn(OMe)(8)], whereas Et2Zn and (Pr2Zn)-Pr-i afford the mono(heterocubanes) [(RZn)(4)(OR)(4)]. In the presence of small amounts of water (added during or after the oxygenation) the product types are reversed for Me2Zn and Et2Zn giving [(MeZn)(4)(OMe)(4)] and [(EtZn)(6)Zn(OEt)(8)], while being retained for (Pr2Zn)-Pr-i (giving [((PrZn)-Pr-i)(4)((OPr)-Pr-i)(4)]). Full characterization of all products by NMR spectroscopy, mass spectrometry, and elemental analyses is provided, and crystal structures of [(EtZn)(6)Zn(OEt)(8)] and [((PrZn)-Pr-i)(4)((OPr)-Pr-i)(4)] are reported. A rationalization of the different reactivities is attempted on the basis of DFT-calculated energies of some key reactants.

  DOI：

  10.1021/ic062438r