aluminum;carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene | 255709-55-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: aluminum;carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 255709-55-8；292856-02-1
• 化学式: C₂₁H₃₃Al
• 分子量: 312.475
• InChiKey: LOQFMHLWDDAWBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  aluminum;carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene 、 三(五氟苯基)硼烷 以 二氯甲烷 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Bis(permethylcyclopentadienyl)aluminum Compounds:  Precursors to [Cp*₂Al]⁺ but Not to Cp*₃Al

  摘要：

  Replacement of only two chloride ligands occurs when AlCl3 is reacted with 3 equiv of either Cp*Na or Cp*K, forming Cp*2AlCl (1) [Cp* = C5Me5]. This compound dissociates a chloride ion in polar solvents such as methylene chloride. Clean formation of decamethyl-aluminocenium salts could not be accomplished by abstraction of a chloride ligand from 2 with silver salts, LiB(C6F5)(4), or NaB(C6F5)(4) However, reaction of Cp*2AlMe (2) with B(C6F5)(3). cleanly affords the salt [CP*2Al](+) [B(C6F5)(3)Me](-) (3). X-ray crystal structures of both 2 and 3 are reported. In the solid state, 2 exhibits a bis-dihapto ring coordination similar to that of (eta(2)-C5H5)(2)AlMe. The molecular structure of 3 shows complete methyl anion abstraction from the aluminum. The decamethylaluminocenium salt is more stable in solution than its nonmethylated analogue; however, it is also considerably less active as an initiator for the cationic polymerization of isobutene.

  DOI：

  10.1021/om000173x
• 作为产物：
  描述：

  甲基二氯化铝 、 sodium pentamethylcyclopentadienide 以 甲苯 为溶剂， 以50%的产率得到aluminum;carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
  参考文献：
  名称：

  Bis(permethylcyclopentadienyl)aluminum Compounds:  Precursors to [Cp*₂Al]⁺ but Not to Cp*₃Al

  摘要：

  Replacement of only two chloride ligands occurs when AlCl3 is reacted with 3 equiv of either Cp*Na or Cp*K, forming Cp*2AlCl (1) [Cp* = C5Me5]. This compound dissociates a chloride ion in polar solvents such as methylene chloride. Clean formation of decamethyl-aluminocenium salts could not be accomplished by abstraction of a chloride ligand from 2 with silver salts, LiB(C6F5)(4), or NaB(C6F5)(4) However, reaction of Cp*2AlMe (2) with B(C6F5)(3). cleanly affords the salt [CP*2Al](+) [B(C6F5)(3)Me](-) (3). X-ray crystal structures of both 2 and 3 are reported. In the solid state, 2 exhibits a bis-dihapto ring coordination similar to that of (eta(2)-C5H5)(2)AlMe. The molecular structure of 3 shows complete methyl anion abstraction from the aluminum. The decamethylaluminocenium salt is more stable in solution than its nonmethylated analogue; however, it is also considerably less active as an initiator for the cationic polymerization of isobutene.

  DOI：

  10.1021/om000173x

文献信息

• Stable Borate-Bridged <i>ansa</i>-Zirconocene Complexes. Preparation and X-ray Crystallographic Characterization of [Cp*₂Al]⁺[Me(Ph)B(η⁵-C₅H₄)₂ZrCl₂]^- and [PPN]⁺[Cl(Ph)B(η⁵-C₅H₄)₂ZrCl₂]^-
  作者：Christopher T. Burns、Daniel S. Stelck、Pamela J. Shapiro、Ashwani Vij、Klaus Kunz、Gerald Kehr、Tom Concolino、Arnold L. Rheingold

  DOI：10.1021/om990744p

  日期：1999.12.1

  The title complexes are stable, borate-bridged ansa-zirconocene species which have been prepared by reacting [Ph(SMe2)B(eta(5)-C5H4)(2)}ZrCl2] (1) with Cp*(2)-AlMe and [PPN]Cl. Their molecular structures were determined by X-ray diffraction. Noteworthy are the stabilities of the borate-cyclopentadienyl linkages and the enhanced Lewis acidity of the boron within its strained ansa position.