[C6H3-2,6-((2,4,6-isopropyl)3C6H2)2]ZnI2Li(OEt2)2 | 943234-92-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [C6H3-2,6-((2,4,6-isopropyl)3C6H2)2]ZnI2Li(OEt2)2
• 英文别名: lithium;zinc;ethoxyethane;1,3,5-tri(propan-2-yl)-2-[3-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]benzene;diiodide
• CAS: 943234-92-2
• 化学式: C₄₄H₆₉I₂LiO₂Zn
• 分子量: 956.171
• InChiKey: FSCSBEGEOOAHME-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [C6H3-2,6-((2,4,6-isopropyl)3C6H2)2]ZnI2Li(OEt2)2 以 甲苯 为溶剂， 以67%的产率得到[(C6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2)Zn(μ-I)]2
  参考文献：
  名称：

  A Trimetallic Compound Containing Zn−Zr Bonds:  Cp₂Zr(ZnR)₂ (Cp = C₅H₅; R = C₆H₃-2,6-(2,4,6-i-Pr₃C₆H₂)₂)

  摘要：

  m-Terphenylzinc iodides RZnI2Li(OEt2)(2) (1) and RZnI (2) (R = C6H3-2,6-(2,4,6-i-Pr3C6H2)(2)) were prepared and structurally characterized. The sodium metal reduction of Cp2ZrCl2 with 2 afforded Cp2Zr(ZnR)(2) (3) as the first structurally characterized compound containing a Zn-Zr bond. The nature of the unique Zn-Zr bond for 3 was further probed by DFT computations.

  DOI：

  10.1021/om700319k
• 作为产物：
  描述：

  zinc(II) iodide 、 (Et2O)LiC6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2 以 乙醚 为溶剂， 以81.4%的产率得到[C6H3-2,6-((2,4,6-isopropyl)3C6H2)2]ZnI2Li(OEt2)2
  参考文献：
  名称：

  A Trimetallic Compound Containing Zn−Zr Bonds:  Cp₂Zr(ZnR)₂ (Cp = C₅H₅; R = C₆H₃-2,6-(2,4,6-i-Pr₃C₆H₂)₂)

  摘要：

  m-Terphenylzinc iodides RZnI2Li(OEt2)(2) (1) and RZnI (2) (R = C6H3-2,6-(2,4,6-i-Pr3C6H2)(2)) were prepared and structurally characterized. The sodium metal reduction of Cp2ZrCl2 with 2 afforded Cp2Zr(ZnR)(2) (3) as the first structurally characterized compound containing a Zn-Zr bond. The nature of the unique Zn-Zr bond for 3 was further probed by DFT computations.

  DOI：

  10.1021/om700319k