[(BA)Cu^IICl]⁺ | 1067222-96-1

• 英文名称: [(BA)Cu^IICl]⁺
• CAS: 1067222-96-1
• 化学式: C₂₅H₂₅ClCuN₅
• 分子量: 494.506
• InChiKey: XTUWYHSSEBOZPS-UHFFFAOYSA-M

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：

  盐酸 、 [(BA)Cu^II(hydroperoxo)](ClO₄) 以 丙酮 为溶剂， 生成 [(BA)Cu^IICl]⁺ 、 双氧水
  参考文献：
  名称：

  Coordination Chemistry and Reactivity of a Cupric Hydroperoxide Species Featuring a Proximal H-Bonding Substituent

  摘要：

  At -90 degrees C in acetone, a stable hydroperoxo complex [(BA)(CuOOH)-O-II](+) (2) (BA, a tetradentate N-4 ligand possessing a pendant -N(H)CH2C6H5 group) is generated by reacting [(BA)Cu-II(CH3COCH3)](2+) with only 1 equiv of H2O2/Et3N. The exceptional stability of 2 is ascribed to internal H-bonding. Species 2 is also generated in a manner not previously known in copper chemistry, by adding 1.5 equiv of H2O2 (no base) to the cuprous complex [(BA)Cu-I](+). The broad implications for this finding are discussed. Species 2 slowly converts to a mu-1,2-peroxodicopper(II) analogue (3) characterized by UV-vis and resonance Raman spectroscopies. Unlike a close analogue not possessing internal H-bonding, 2 affords no oxidative reactivity with internal or external substrates. However, 2 can be protonated to release H2O2, but only with HClO4, while 1 equiv Et3N restores 2.

  DOI：

  10.1021/ic302071e