| 853913-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• CAS: 853913-71-0
• 化学式: C₄H₈O*C₉H₁₃*Cl*Mg
• 分子量: 253.067
• InChiKey: DAZFNGZLUZNHEF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 氯化铀 以 甲苯 为溶剂， 以78%的产率得到(C₅Me₅H)₂UCl₂
  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

文献信息

• Actinide Metallocene Hydride Chemistry: C–H Activation in Tetramethylcyclopentadienyl Ligands to Form [μ-η⁵-C₅Me₃H(CH₂)-<i>κC</i>]^2– Tuck-over Ligands in a Tetrathorium Octahydride Complex
  作者：Nathan A. Siladke、Christopher L. Webster、Justin R. Walensky、Michael K. Takase、Joseph W. Ziller、Daniel J. Grant、Laura Gagliardi、William J. Evans

  DOI：10.1021/om4008482

  日期：2013.11.11

  dimethyl actinide metallocenes (C5Me4SiMe3)2UMe2 and (C5Me4H)2AnMe2 (An = Th, U) was examined for comparison with the hydrogenolysis of (C5Me5)2AnMe2 that forms the hydrides [(C5Me5)2ThH2]2, [(C5Me5)2UH2]2, and [(C5Me5)2UH]2. Parallel reactivity is not found with the (C5Me4SiMe3)− and (C5Me4H)− complexes. Instead, this study led to the first example of a “tuck-over” [μ-η5-C5Me3H(CH2)-κC]2– dianion derived

  检查了二甲基act系金属茂（C 5 Me 4 SiMe 3）2 UMe 2和（C 5 Me 4 H）2 AnMe 2（An = Th，U）的氢解作用，以与（C 5 Me 5）2的氢解作用进行比较形成氢化物的AnMe 2 [（C 5 Me 5）2 ThH 2 ] 2，[（C 5 Me 5）2 UH 2 ] 2和[（C5 Me 5）2 UH] 2。与（C 5 Me 4 SiMe 3）-和（C 5 Me 4 H）-配合物未发现平行反应。相反，本研究导致了“折入结束”的第一个例子[μ-η 5 -C 5我3 H（CH 2） - κC ] -2-从（C衍生的二价阴离子5我4 1H）-配位体被C -H键活化以及多金属th多价化合物和有机金属Th的稀有例子3+复杂。（C 5我4森达3）2 UME 2分发生反应用H 2，以形成双（系留烷基）配合物（η 5 -C 5我4森达2 CH 2 - κC）2 U，CH