UI(tetramethylcyclopentadienyl)3 | 853913-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: UI(tetramethylcyclopentadienyl)3
• 英文别名: 1,2,4,5-tetramethylcyclopenta-1,3-diene;uranium(4+);iodide
• CAS: 853913-66-3
• 化学式: C₂₇H₃₉IU
• 分子量: 728.54
• InChiKey: IUQSZCKUDXCSTN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (tetramethylcyclopentadienyl)3U 、 mercury(II) iodide 以 甲苯 为溶剂， 以88%的产率得到UI(tetramethylcyclopentadienyl)3
  参考文献：
  名称：

  Facile Syntheses of Unsolvated UI₃ and Tetramethylcyclopentadienyl Uranium Halides

  摘要：

  In the course of comparing the reaction chemistry of (C5Me5)(3)U, 1, and its slightly less crowded analogue (C5Me4H)(3)U, 2, new syntheses of Ul(3), (C5Me4H)(3)U, (C5Me4H)(3)UCl, 3, and (C5Me5)(3)UCl, 4, have been developed. Additionally, (C5Me4H)(3)Ul, 5, and (C5Me4H)(2)UCl2, 6, have been identified for the first time. A facile synthesis of unsolvated Ul(3) is reported that proceeds in high yield with inexpensive equipment from iodine and hot uranium turnings. Both Ul(3) and Ul(3)(THF)(4) react with KC5Me4H in toluene to make unsolvated (C5Me4H)(3)U in higher yield than in previous reports that involve reduction of tetravalent (C5Me4H)(3)UCl, 3. A more atom-efficient synthesis of complex 3 is also reported that proceeds from reduction of t-BuCl, PhCl, or HgCl2 by 2. Similarly, (C5Me4H)(3)U reacts with Phl or Hgl(2) to generate (C5Me4H)(3)Ul. These studies also provided a basis to improve the synthesis of (C5Me5)(3)UCl from 1 by employing t-BuCl or HgCl2 as the halide source. Like (C5Me5)(3)UCl, the (C5Me4H)(3)UCl Complex reacts with HgCl2 to form (C5Me4H)(2) and (C5Me4H)(2)UCl2, 6, but unlike (C5Me5)(3)UX (X = Cl or l), the less substituted (C5Me4H)(3)UX complexes do not reduce t-BuCl or PhX. The synthesis of 6 from (C5Me4H)MgCl-THF and UCl4 is also included.

  DOI：

  10.1021/ic0482685