[(C6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2)Zn(μ-I)]2 | 943234-93-3

• 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-(C6H2-2,4,6-(i-Pr)3)2)Zn(μ-I)]2
• 英文别名: [C6H3-2,6-((2,4,6-isopropyl)3C6H2)2]2Zn2I2
• CAS: 943234-93-3
• 化学式: C₇₂H₉₈I₂Zn₂
• 分子量: 1348.16
• InChiKey: OPCAUGJHLXSPCX-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [(C6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2)Zn(μ-I)]2 、 sodium hydride 以 四氢呋喃 为溶剂， 以65%的产率得到[(C6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2)Zn(μ-H)2Zn(C6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2)]
  参考文献：
  名称：

  Steric Enhancement of Group 12 Metal Hydride Stability and the Reaction of an Arylzinc Hydride with Tetramethylpiperidinyl Oxide (TEMPO)

  摘要：

  The synthesis and characterization of arylzinc hydrides Ar*Zn(mu-H)(2)ZnAr* (Ar*=C6H3-2,6-(C6H2-2,4,6-Pr-3(i))(2), 5) and {(4-Me3Si-Ar*)Zn(mu-H)(2)Zn(Ar*- 4-SiMe3)} (4-Me3Si-Ar*=C6H2-2,6-(C6H2-2,4,6-Pr-3(i))(2)-4-SiMe3, 7) as well as the monomeric arylcadmium hydride Ar*CdH (9) are described. They were prepared by the transmetalation of the corresponding aryl metal iodides with NaH. The Ar*CdH monomer displayed significantly greater thermal stability than its recently reported dimeric congener Ar'Cd(mu-H)(2)CdAr' (Ar'=C6H3-2,6-(C6H3-2,6-Pr-2(i))2), which decomposed at room temperature to afford Ar'CdCdAr'. This result supports the proposal that decomposition of the metal hydrides occurs by an associative mechanism. The reactions of these compounds with TEMPO (2,2,6,6-tetramethylpiperidinyl oxide) were also examined, but the only crystalline product obtained was 4-Me3Si-Ar*ZnTEMPO, in which the metal is bound to the TEMPO ligand in a quasi side-on fashion primarily through the oxygen but with a significant zinc-nitrogen interaction.

  DOI：

  10.1021/om900005t
• 作为产物：
  描述：

  (Et2O)LiC6H3-2,6-(C6H2-2,4,6-(i-Pr)3)2 以 乙醚 、 甲苯 为溶剂， 生成 [(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