cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide;methanidylbenzene;zirconium(4+) | 254445-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide;methanidylbenzene;zirconium(4+)
• CAS: 254445-69-7；283586-92-5
• 化学式: C₄₀H₆₁N₃Si₂Zr
• 分子量: 731.339
• InChiKey: QOEZVEATUZIRNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.96
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  16.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苄基氯化镁 、 以 乙醚 、 甲苯 为溶剂， 以72%的产率得到cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide;methanidylbenzene;zirconium(4+)
  参考文献：
  名称：

  N-Substituted Guanidinate Anions as Ancillary Ligands in Group 4 Chemistry. Syntheses and Characterization of M{RNC[N(SiMe₃)₂]NR}₂Cl₂, [M{CyNC[N(SiMe₃)₂]NCy}Cl₃]^- (M = Zr, Hf; R = ⁱPr, Cy), and Zr{CyNC[N(SiMe₃)₂]NCy}(CH₂Ph)₃

  摘要：

  DOI：

  10.1021/ic990668i

文献信息

• Crystal Packing Forces Dictate η¹- versus η²-Coordination of Benzyl Groups in [Guanidinate]Zr(CH₂Ph)₃
  作者：Garth R. Giesbrecht、Glenn D. Whitener、John Arnold

  DOI：10.1021/om000123s

  日期：2000.7.1

  An X-ray structure determination of CyNC[N(SiMe3)(2)]NCy}Zr(CH2Ph)(3), crystallized from pentane, differs from the solid-state structure previously reported for the same compound crystallized from toluene. In contrast to the earlier report, we find no evidence for the presence of an eta(2) interaction in the solid state by X-ray crystallography or in, solution by means of H-1 or C-13 NMR spectroscopy.