| 942588-59-2

• CAS: 942588-59-2
• 化学式: C₇₂H₇₇ClN₆NiPd
• 分子量: 1227.01
• InChiKey: BCGARBXQYHEOHI-VEMPEKAWSA-M

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：

  在 H₂SO₄ 作用下， 以 三氟乙酸 为溶剂， 以71%的产率得到H₂N₄C₂₀H₆(C₆H₃(C(CH₃)3)2)3(C₅H₄N)2PdCl
  参考文献：
  名称：

  Porphyrin Pincer Complexes:  Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals

  摘要：

  A series of heterobimetallic porphyrin pincer palladium complexes have been synthesized through direct cyclometalation of beta,beta-dipyridylporphyrin. X-ray analyses elucidated their highly distorted structures of porphyrin cores induced by the outer metalation. The catalytic activity has been investigated in the typical Heck reaction of iodobenzene with butyl acrylate. These complexes exhibit markedly different catalytic activities in the initial phase of the reaction, depending on the central metals.

  DOI：

  10.1021/ja072218s
• 作为产物：
  描述：

  potassium tetrachloropalladate(II) 、 [Ni((tBu2C6H3)3C20H7N4(C5H4N))] 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Porphyrin Pincer Complexes:  Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals

  摘要：

  A series of heterobimetallic porphyrin pincer palladium complexes have been synthesized through direct cyclometalation of beta,beta-dipyridylporphyrin. X-ray analyses elucidated their highly distorted structures of porphyrin cores induced by the outer metalation. The catalytic activity has been investigated in the typical Heck reaction of iodobenzene with butyl acrylate. These complexes exhibit markedly different catalytic activities in the initial phase of the reaction, depending on the central metals.

  DOI：

  10.1021/ja072218s