[bis(2-phenylpyridine)Ni((2-phenyl-κC2)pyridine-κN)](trifluoromethanesulfonate) | 956298-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [bis(2-phenylpyridine)Ni((2-phenyl-κC2)pyridine-κN)](trifluoromethanesulfonate)
• CAS: 956298-28-5
• 化学式: CF₃O₃S*C₃₃H₂₆N₃Ni
• 分子量: 672.35
• InChiKey: XUFWFRRAMLSNMU-UHFFFAOYSA-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：

  [bis(2-phenylpyridine)Ni((2-phenyl-κC2)pyridine-κN)](trifluoromethanesulfonate) 在 t-BuOK 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 [Ni((2-phenyl-κC2)pyridine-κN)2]
  参考文献：
  名称：

  Heterolytic CH-bond activation in the synthesis of Ni{(2-aryl-κC2)pyridine-κN}2 and derivatives

  摘要：

  Thermolysis of Ni(OTf)(2) in 2-phenyl-pyridine or 2-tolyl-pyridine afforded the cationic chelate derivatives, [bis(2-aryl-pyridine)Ni{(2aryl-kappa C-2)pyridine-kappa N]OTf (aryl = phenyl, 1a; tolyl, 1b). Addition of KBr to 1a and LiBr to 1b provided the bromides, (2-aryl-pyridine)BrNi{ (2-aryl-KC2)pyridine-KN} (aryl = phenyl, 2a; tolyl, 2b). When subjected to KO'Bu in Et2O, the bromides generated the entitled bis-cyclometalated compounds, Ni((2-aryl-KC2)pyridine-kappa N-2 (aryl = phenyl, 3a; tolyl, 3b). These compounds insert diphenylacetylene into one cyclometalate arm to produce [(2-aryl-kappa C-2)pyridine-KN]Ni[2-(2-(1,2-diphenylethenyl-kappa C-2)aryl)pyridine-KN] (aryl = phenyl, 4a; p-tolyl, 4b). X-ray crystallographic studies were conducted on la, 2a, 3a and 4a, and a brief DFT study of 3a confirmed its low spin configuration and rippled geometry. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.06.047
• 作为产物：
  描述：

  nickel(II) triflate 、 2-苯基吡啶 以 neat (no solvent) 为溶剂， 以43%的产率得到[bis(2-phenylpyridine)Ni((2-phenyl-κC2)pyridine-κN)](trifluoromethanesulfonate)
  参考文献：
  名称：

  Heterolytic CH-bond activation in the synthesis of Ni{(2-aryl-κC2)pyridine-κN}2 and derivatives

  摘要：

  Thermolysis of Ni(OTf)(2) in 2-phenyl-pyridine or 2-tolyl-pyridine afforded the cationic chelate derivatives, [bis(2-aryl-pyridine)Ni{(2aryl-kappa C-2)pyridine-kappa N]OTf (aryl = phenyl, 1a; tolyl, 1b). Addition of KBr to 1a and LiBr to 1b provided the bromides, (2-aryl-pyridine)BrNi{ (2-aryl-KC2)pyridine-KN} (aryl = phenyl, 2a; tolyl, 2b). When subjected to KO'Bu in Et2O, the bromides generated the entitled bis-cyclometalated compounds, Ni((2-aryl-KC2)pyridine-kappa N-2 (aryl = phenyl, 3a; tolyl, 3b). These compounds insert diphenylacetylene into one cyclometalate arm to produce [(2-aryl-kappa C-2)pyridine-KN]Ni[2-(2-(1,2-diphenylethenyl-kappa C-2)aryl)pyridine-KN] (aryl = phenyl, 4a; p-tolyl, 4b). X-ray crystallographic studies were conducted on la, 2a, 3a and 4a, and a brief DFT study of 3a confirmed its low spin configuration and rippled geometry. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.06.047