[(pentamethylcyclopentadienyl)2UMe][MeBPh3] | 858972-46-0

• 英文名称: [(pentamethylcyclopentadienyl)2UMe][MeBPh3]
• 英文别名: [(C5Me5)2UMe][MeBPh3]
• CAS: 858972-46-0
• 化学式: C₁₉H₁₈B*C₂₁H₃₃U
• 分子量: 780.685
• InChiKey: YFSLCNOHWBZGAL-UHFFFAOYSA-N

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：

  [(pentamethylcyclopentadienyl)2UMe][MeBPh3] 在 LiCH(Si(CH₃)3)2 or KN(Si(CH₃)3)2 作用下， 以 not given 为溶剂， 生成 dimethylbis(η5-pentamethylcyclopentadienyl)uranium
  参考文献：
  名称：

  Synthesis of (C₅Me₅)₂(C₅Me₄H)UMe, (C₅Me₅)₂(C₅H₅)UMe, and (C₅Me₅)₂UMe[CH(SiMe₃)₂] from Cationic Metallocenes for the Evaluation of Sterically Induced Reduction

  摘要：

  To probe the correlation of unusual (C5Me5)(1-) reactivity with steric crowding in complexes such as (C5Me5)(3)UMe and (C5Me5)(3)UCl, slightly less crowded (C5Me5)(2)(C5Me4H)UX analogues (X = Me, Cl) were synthesized and their reactivity was evaluated. The utility of the cationic precursors [(C5Me5)(2)UMe](1+), 1, and [(C5Me5)(2)UCl](1+), 2, in the synthesis of (C5Me5)(2)(C5Me4H)UMe, 3, and (C5Me5)(2)(C5Me4H)UCl, 4, was also explored. Since the use of precursor ((C5Me5)(2)UMe][MeBPh3], 1a, is complicated by the equilibrium between la and (C5Me5)(2)UMe2/BPh3, the reactivity of [(C5Me5)(2)UMe(OTf)](2), 1b, (OTf = O3SCF3) prepared from (C5Me5)(2)UMe2 and AgOTf, was also studied. Both 1a and 1b react with KC5Me4H to form 3. Complex 4 readily forms by addition of KC5Me4H to [(C5Me5)(2)UCl][MeBPh3], generated in situ from (C5Me5)(2)UMeCl and BPh3. Complex 1b was preferred to la for the synthesis of (C5Me5)(2)(C5H5)UMe, 5, and (C5Me5)(2)UMe[CH(SiMe3)(2)], 6, from KC5H5 and LiCH(SiMe3)(2), respectively. Complex 6 is the first example of a mixed alkyl uranium metallocene complex. Sterically induced reduction (SIR) reactivity was not observed with 3-6 although the methyl displacements from the (C5Me5)(1-) ring plane for 3 are the closest observed to date to those of SIR-active complexes. The H-1 NMR spectra of 3 and 4 are unusual in that all of the (C5Me4H)(1-) methyl groups are inequivalent. This structural rigidity is consistent with density-functional theory calculations.

  DOI：

  10.1021/ic801232e
• 作为产物：
  描述：

  dimethylbis(η5-pentamethylcyclopentadienyl)uranium 、 三苯基硼烷 以 甲苯 为溶剂， 以99%的产率得到[(pentamethylcyclopentadienyl)2UMe][MeBPh3]
  参考文献：
  名称：

  空间位的基于三苯基硼容易拥挤的合成三（五甲基环戊二烯）（C配合物5我5）3 UME和（C 5我5）3 UCL

  摘要：

  报道了原子和时间效率高的合成方法，该方法合成了空间密集的有机act（C 5 Me 5）3 UX络合物，涉及硼酸盐的原位形成。将BPh 3添加到（C 5 Me 5）2 UMeCl中，然后添加KC 5 Me 5可以大大改善（C 5 Me 5）3 UCl的合成，该合成大概通过[（C 5 Me 5）2 UCl] [MeBPh 3 ]硼酸盐中间体。尝试做出（C 5 Me 5）3 UME，第一三（五甲基环戊二烯）金属烷基配合物，由BPH的反应3与（C 5我5）2 UME 2接着KC 5我5也是成功的，并且将产物通过X射线晶体学。在该反应系统中，通过可变温度NMR光谱和THF加合物的X射线晶体学证实了硼酸盐中间体[（C 5 Me 5）2 UMe] [MeBPh 3 ]的形成。

  DOI：

  10.1021/om050230s