phenylbis(1-pyrazolyl)phosphine | 54877-52-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: phenylbis(1-pyrazolyl)phosphine
• 英文别名: 1H,1'H-1,1'-phenylphosphanediyl-bis-pyrazole；1,1'-Bis-(pyrazolyl)-phenylphosphin；Phenyl-di(pyrazol-1-yl)phosphane
• CAS: 54877-52-0
• 化学式: C₁₂H₁₁N₄P
• 分子量: 242.22
• InChiKey: HLMQQJRVWBDANI-UHFFFAOYSA-N

物化性质

• 沸点：
  411.3±28.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吡唑 、 苯基二氯化磷 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到phenylbis(1-pyrazolyl)phosphine
  参考文献：
  名称：

  Selective Ethylene Tri-/Tetramerization by in Situ-Formed Chromium Catalysts Stabilized by N,P-Based Ancillary Ligand Systems

  摘要：

  A series of N,P-based ancillary ligands have been synthesized, and the corresponding catalysts, formed in situ by mixing one of the N,P-ligands, Cr(acac)(3) and MAO, have been tested for ethylene oligomerization. Under standard ethylene oligomerization conditions (30 bar ethylene, 60 degrees C, methylcyclohexane solvent), all of the in situ formed complexes show catalytic activity, producing oligomers together with varying amounts of polyethylene (PE). Of all these combinations, only the catalyst formed by mixing N-pyrrolyldiphenylphosphine with Cr(acac)(3) and MAO is capable of selectively oligomerizing ethylene, producing a mixture of 1-hexene and 1-octene in varying ratios alongside a small amount of PE. Further investigations on this catalyst system revealed that the presence of a low concentration of toluene favors the production of 1-octene. However, in pure toluene as the solvent, the selectivity toward 1-hexene/1-octene is lost and a statistic mixture of alpha-olefins is produced. Moreover, the choice of the cocatalyst is to dramatically influence the composition of the liquid products. By careful adjustment of the reaction conditions (temperature, ethylene pressure, catalyst loading, and ligand/Cr ratio), the 1-hexene/1-octene molar ratio can be tuned from 0.3 to 20 and a selectivity for 1-octene formation of up to 74% can be achieved.

  DOI：

  10.1021/cs4004968