[(pentamethylcyclopentadienyl)2(tetramethylcyclopentadienyl)UCl] | 1073537-09-3

• 英文名称: [(pentamethylcyclopentadienyl)2(tetramethylcyclopentadienyl)UCl]
• CAS: 1073537-09-3
• 化学式: C₂₉H₄₃ClU
• 分子量: 665.142
• InChiKey: LJXUWRYQYSJHOD-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  bis(pentamethylcyclopentadienyl)dichlorouranium(IV) 、 potassium tetramethylcyclopentadienide 以 not given 为溶剂， 以0%的产率得到[(pentamethylcyclopentadienyl)2(tetramethylcyclopentadienyl)UCl]
  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