| 352469-71-7

• CAS: 352469-71-7
• 化学式: C₂₂H₄₁N₂PZr
• 分子量: 455.779
• InChiKey: AZYAZGVVQFJNOC-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

• 作为产物：
  描述：

  (1-methyl-1-cyclohexylphosphinoethyl)cyclopentadienyllithium 、 bis(diethylamido)-dichloridozirconium(lV)-bis(tetrahydrofurane) 以 not given 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  生成均相（sp（3）-C（1））-桥联的Cp /酰胺基和Cp /磷基4金属齐格勒-纳塔催化剂体系。

  摘要：

  DOI：

  10.1021/ja0029634

文献信息

• Synthesis of Alkylidene-Bridged Cp/Phosphido Group 4 Metal ComplexesPrecursors of the “(CpCPR)M−Constrained-Geometry” Catalyst Family
  作者：Stéphane Bredeau、Gereon Altenhoff、Klaus Kunz、Steve Döring、Stefan Grimme、Gerald Kehr、Gerhard Erker

  DOI：10.1021/om034201y

  日期：2004.4.1

  Phosphide [PHR1]Li (R-1 = cyclohexyl, phenyl) addition to the fulvenes (C5H4)CMe2 (1) and (C5H4)CHCMe3 (2) yields the corresponding phosphinoalkyl-substituted cyclopentadienides. Subsequent deprotonation at phosphorus with LDA followed by transmetalation of the resulting [(C5H4)(CRRPR1)-R-2-P-3]Li-2 dianion equivalents to Cl2Ti(NMe2)(2) or Cl2Zr(NEt2)(2)(THF)(2) yields the corresponding ["CpCPR1"MX2] "constrained-geometry" systems (eight examples, 11-18). These systems contain a chiral phosphorus center that is characterized by a low inversion barrier (DeltaG(inv)(+) ranging from ca. 7.5 to 10.0 kcal mol(-1)). The structural and some spectroscopic features of the (CpCPR)Ti and Zr complexes were investigated by DFT calculations. Treatment with a large excess of methylalumoxane gave ethene/1-octene copolymerization catalysts. The [(C5H4)CMe2PR1]ZrX2 systems gave the most active catalysts in this series.