bis(tetraisopropylcyclopentadienyl)Zn | 178476-74-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: bis(tetraisopropylcyclopentadienyl)Zn
• 英文别名: zinc;1,2,3,4-tetra(propan-2-yl)cyclopenta-1,3-diene
• CAS: 178476-74-9
• 化学式: C₃₄H₅₈Zn
• 分子量: 532.225
• InChiKey: RGOJVTMZYFCPGF-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  potassium 1,2,3,4-tetra(iso-propyl)cyclopentadienide 、 zinc(II) iodide 以 乙醚 为溶剂， 以80%的产率得到bis(tetraisopropylcyclopentadienyl)Zn
  参考文献：
  名称：

  Effects of steric strain on the bonding in zinc metallocenes: the structure of [(C3H7)4C5H]2Zn

  摘要：

  Zinc diiodide reacts with the potassium salts of 1,2,4-tri- and 1,2,3,4-tetra(isopropyl)cyclopentadiene to form the corresponding zinc metallocenes in high yield. Both compounds are highly air-sensitive, but [(C3H7)(4)C5H]Zn-2 is isolated as a high-melting crystalline solid, whereas [(C3H7)(4)C5H2]Zn-2 is a waxy solid that melts just above room temperature. Like other structurally characterized zincocenes, [(C3H7)(4)C5H]Zn-2 has an asymmetric ''slipped-sandwich'' structure with one eta(1)- and one approximately eta(5)-ring. The Zn-C distance for 3 the eta(1)-ring of 2.223(4) Angstrom is the longest yet observed in a zincocene. The Zn-C distances for the eta(5)-ring cover a larger than usual range (0.52 Angstrom), and include the shortest Zn-C ring bond reported in a cyclopentadienyl 2:inc complex (1.991(4) Angstrom). These extremes in structural values reflect the increased slippage of the rings in [(C3H7)(4)C5H]Zn-2, which is a consequence of the exceptional steric bulk of the [(C3H7)(4)C5H](-) anion. Variable temperature NMR data for [(C3H7)(4)C5H]Zn-2 are consistent with the existence of an asymmetric structure in solution.

  DOI：

  10.1016/0022-328x(95)05952-l

文献信息

• Unexpected Competition between Vanadium and Zinc in the Synthesis of Sterically Bulky Metallocenes
  作者：Jason S. Overby、Kumudini C. Jayaratne、Nathan J. Schoell、Timothy P. Hanusa

  DOI：10.1021/om980691w

  日期：1999.4.1

  (Cp4i)2V (Cpni = C5(iPr)nH5-n) from the reaction of zinc-reduced VCl3 and K[Cpni] in THF at room temperature produces the corresponding zincocenes (Cp3i)2Zn and (Cp4i)2Zn instead. In refluxing THF, the same reactions generate the expected (Cpni)2V vanadocenes. The latter are also formed from the reaction of aluminum-reduced VCl3 with K[Cpni] at room temperature. Reaction of 3 equiv of K[Cp3i] or K[C5Ph4H]

  尝试形成（CP 3i）2 V和（CP 4i）2 V（CP ni = C 5（iPr）n H 5 - n），由锌还原的VCl 3和K [CP n室温下，在THF中生成i ]（CP 3i）2 Zn和（CP 4i）2 Zn。在回流的THF中，相同的反应会产生预期的（CP ni）2 V Vanadocenes。后者也是由铝还原的VCl 3与K [CP n我在室温下。3当量的K的反应的[CP 3I ]或K [C 5博士4 H]用的VCl 3在THF中产生（CP 3I）2 V和（C 5博士4 1H）2 V，分别，而其中K相当于反应[CP 4i ]生成（CP 4i）2 VCl。这些实验表明，每当从还原锌的VCl 3中合成钒钒时，新世烯都是中间体，但只有在使用某些环戊二烯基环和温度条件时，才会分离出锌配合物。（CP3i）2 V发现金属驻留在晶体学施加的反转中心上，平均VC（环）距离为2.274（9）Å；异