[(η5:σ-(C9H6)C2B10H10)Er(THF)2(μ-Cl)2K(THF)2]2 | 1071146-29-6

• 英文名称: [(η5:σ-(C9H6)C2B10H10)Er(THF)2(μ-Cl)2K(THF)2]2
• CAS: 1071146-29-6
• 化学式: C₅₄H₉₆B₂₀Cl₄Er₂K₂O₈
• 分子量: 1644.1
• InChiKey: HDEKQZLLSSEZJN-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  乙二醇二甲醚 、 N,N-dimethyl-o-toluidinepotassium 、 [(η5:σ-(C9H6)C2B10H10)Er(THF)2(μ-Cl)2K(THF)2]2 以 四氢呋喃 为溶剂， 以27%的产率得到[(η5:σ-(C9H6)C2B10H10)Er(CH2C6H4-o-NMe2)(DME)]
  参考文献：
  名称：

  Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η⁵:σ-(C₉H₆)C₂B₁₀H₁₀]²⁻

  摘要：

  Interaction of 1-indenyl-1,2-carborane (1) with 2 equiv of KH in refluxing THF gave the dipotassium salt [K-2][(C9H6)C2B10H10]. Treatment of [K-2][(C9H6)C2B10H10] with 1 equiv of LnCl(3) in THF generated the ionic complex [K(THF)(6)][{eta(5):sigma-(C9H6)C2B10H10}(2)La(THF)] (2) for early lanthanide or organolanthanide chloride complexes [{eta(5):sigma-(C9H6)C2B10H10}Ln(THF)(2)(mu-Cl)(2)K(THF)(2)](2) (Ln = Y (3a), Gd (3b), Er (3c), Yb (3d)) for late lanthanides. Reaction of 3 with nucleophile NaCp or KCH2C6H4-o-NMe2 afforded the corresponding salt metathesis products [eta 5:sigma-(C9H6)C2B10H10]Ln(eta(5)-C5H5)(THF)(2) (Ln = Y (4a), Gd (4b)) or [eta(5):sigma-(C9H6)C2B10H10]Ln(CH2C6H4-o-NMe2)(DME) (Ln = Y (5a), Er (5c)), respectively. Complexes 5 were also synthesized via the alkane elimination reaction of 1-indenyl-1,2-carborane with Ln(CH2C6H4-o-NMe2)(3). They represent the first examples of organolanthanide alkyl complexes incorporating a carboranyl ligand. These complexes were fully characterized by various spectroscopic techniques and elemental analyses. Some were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/om8006344
• 作为产物：
  描述：

  四氢呋喃 、 氯化铒(III) 、 1-indenyl-1,2-carborane 、 potassium hydride 以 四氢呋喃 为溶剂， 以47%的产率得到[(η5:σ-(C9H6)C2B10H10)Er(THF)2(μ-Cl)2K(THF)2]2
  参考文献：
  名称：

  Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η⁵:σ-(C₉H₆)C₂B₁₀H₁₀]²⁻

  摘要：

  Interaction of 1-indenyl-1,2-carborane (1) with 2 equiv of KH in refluxing THF gave the dipotassium salt [K-2][(C9H6)C2B10H10]. Treatment of [K-2][(C9H6)C2B10H10] with 1 equiv of LnCl(3) in THF generated the ionic complex [K(THF)(6)][{eta(5):sigma-(C9H6)C2B10H10}(2)La(THF)] (2) for early lanthanide or organolanthanide chloride complexes [{eta(5):sigma-(C9H6)C2B10H10}Ln(THF)(2)(mu-Cl)(2)K(THF)(2)](2) (Ln = Y (3a), Gd (3b), Er (3c), Yb (3d)) for late lanthanides. Reaction of 3 with nucleophile NaCp or KCH2C6H4-o-NMe2 afforded the corresponding salt metathesis products [eta 5:sigma-(C9H6)C2B10H10]Ln(eta(5)-C5H5)(THF)(2) (Ln = Y (4a), Gd (4b)) or [eta(5):sigma-(C9H6)C2B10H10]Ln(CH2C6H4-o-NMe2)(DME) (Ln = Y (5a), Er (5c)), respectively. Complexes 5 were also synthesized via the alkane elimination reaction of 1-indenyl-1,2-carborane with Ln(CH2C6H4-o-NMe2)(3). They represent the first examples of organolanthanide alkyl complexes incorporating a carboranyl ligand. These complexes were fully characterized by various spectroscopic techniques and elemental analyses. Some were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/om8006344