[(Me5C5)Mo(NO)(η2-CH2C6H3-3,5-Me2)(phenyl)] | 459844-69-0

• 英文名称: [(Me5C5)Mo(NO)(η2-CH2C6H3-3,5-Me2)(phenyl)]
• CAS: 459844-69-0
• 化学式: C₂₅H₃₁MoNO
• 分子量: 457.467
• InChiKey: PHIZSQJXZUFZCT-UHFFFAOYSA-N

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：

  [(Me5C5)Mo(NO)Ph(neopentyl)] 、 均三甲苯 以 均三甲苯 为溶剂， 生成 [(Me5C5)Mo(NO)(neopentyl)(η2-CH2C6H3-3,5-Me2)] 、 [(Me5C5)Mo(NO)(η2-CH2C6H3-3,5-Me2)(phenyl)]
  参考文献：
  名称：

  Parallel Modes of C−H Bond Activation Initiated by Cp*Mo(NO)(CH₂CMe₃)(C₆H₅) at Ambient Temperatures

  摘要：

  The molybdenum nitrosyl complex Cp*Mo(NO)(CH2CMe3)(C6H5) reacts at room temperature via elimination of neopentane or benzene to form the transient species Cp*Mo(NO)(=CHCMe3) and Cp*Mo(NO)(eta2-C6H4). These reactive intermediates effect the intermolecular activation of hydrocarbon C-H bonds via the reverse of the transformations by which they are generated. Thermolysis of Cp*Mo(NO)(CH2CMe3)(C6H5) in pyridine yields the adducts Cp*Mo(NO)(=CHCMe3)(NC5H5) and Cp*Mo(NO)(eta2-C6H4)(NC5H5), and the benzyne complex has been characterized by X-ray diffraction.

  DOI：

  10.1021/ja027080m