[Cr(III)(1,4,8,11-tetraazacyclotetradecane)(OH)(Cl)](1+) | 1226784-04-8

• 英文名称: [Cr(III)(1,4,8,11-tetraazacyclotetradecane)(OH)(Cl)](1+)
• CAS: 1226784-04-8
• 化学式: C₁₄H₃₃ClCrN₄O
• 分子量: 360.891
• InChiKey: XAURVFHCHQGJNY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  [Cr(III)(1,4,8,11-tetraazacyclotetradecane)(O₂)(Cl)]⁽¹⁺⁾ 在 xanthene 作用下， 以 acetonitrile 为溶剂， 生成 [Cr(III)(1,4,8,11-tetraazacyclotetradecane)(OH)(Cl)](1+)
  参考文献：
  名称：

  An “End-On” Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C−H Bond Activation of Hydrocarbons

  摘要：

  Metal-superoxo intermediates have been invoked as reactive species in C-H bond cleavage of substrates by oxygenase enzymes. In this work, we have shown the first structurally characterized end-on chromium(III)-superoxo complex, [Cr-III(14-TMC)(O-2)(Cl)](+), which was synthesized by reacting [Cr-II(14-TMC)(Cl)](+) with O-2. The Cr(III)-superoxo intermediate has shown reactivities in C-H cleavage of alkylaromatics via a H-atom abstraction mechanism.

  DOI：

  10.1021/ja1015926