Pd2(1,3-bis(diphenylphosphino)propane)3 | 175693-25-1

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: Pd2(1,3-bis(diphenylphosphino)propane)3
• 英文别名: Pd₂(_{1,3-bis(diphenylphosphino})propane)₃；Pd₂(dippp)₃；[Pd(1,2-bis(diisopropylphosphino)ethane)]2(μ-1,3-bis(diisopropylphosphino)propane)
• CAS: 175693-25-1
• 化学式: C₄₃H₉₈P₆Pd₂
• 分子量: 1013.93
• InChiKey: DPGOBVWKTNFWPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.14
• 重原子数：
  51.0
• 可旋转键数：
  18.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  Pd2(1,3-bis(diphenylphosphino)propane)3 、 三氟乙酸 以 乙醚 为溶剂， 反应 1.5h， 以98%的产率得到[Pd₂H₂(dippp)₃](TfO)₂
  参考文献：
  名称：

  Isomerization of Terminal Epoxides by a [Pd–H] Catalyst: A Combined Experimental and Theoretical Mechanistic Study

  摘要：

  An unusual palladium hydride complex has been shown to be a competent catalyst in the isomerization of a variety of terminal and internal epoxides. The reaction displayed broad scope and synthetic utility. Experimental and theoretical evidence are provided for an unprecedented hydride mechanism characterized by two distinct enantio-determining steps. These results hold promise for the development of an enantioselective variant of the reaction.

  DOI：

  10.1021/ja400325w
• 作为产物：
  描述：

  二(三叔丁基膦)钯 、 1,3-二(二异丙基膦酰)丙烷 以 甲苯 为溶剂， 反应 24.0h， 以91%的产率得到Pd2(1,3-bis(diphenylphosphino)propane)3
  参考文献：
  名称：

  Isomerization of Terminal Epoxides by a [Pd–H] Catalyst: A Combined Experimental and Theoretical Mechanistic Study

  摘要：

  An unusual palladium hydride complex has been shown to be a competent catalyst in the isomerization of a variety of terminal and internal epoxides. The reaction displayed broad scope and synthetic utility. Experimental and theoretical evidence are provided for an unprecedented hydride mechanism characterized by two distinct enantio-determining steps. These results hold promise for the development of an enantioselective variant of the reaction.

  DOI：

  10.1021/ja400325w

文献信息

• Solution and Solid-State Structures of the Binuclear Zerovalent Palladium Complex [(dippe)Pd]₂(μ-dippe) (dippe = 1,2-Bis(diisopropylphosphino)ethane)
  作者：Michael D. Fryzuk、Guy K. B. Clentsmith、Steven J. Rettig、Gerhard Hägele

  DOI：10.1021/om950825v

  日期：1996.4.16

  The reaction of PdCl2(dippe), where dippe = 1,2-bis(diisopropylphosphino)ethane, with 2 equiv of KBEt(3)H in toluene generates the binuclear palladium(0) derivative [(dippe)Pd](2)(mu-dippe) (4) in 35% yield; alternatively, the reaction of [(eta(3)-C4H7)Pd](2)(mu-Cl)(2) with MeONa in the presence of 3 equiv of dippe generates 4 as well. Mechanistic studies on the attempted formation of mixed binuclear complexes are reported as well as the use of 4 as a catalyst for the reductive dechlorination of chloroarenes. Analysis of the second-order [AB(2)](2) spin system was accomplished by iteration of the 202.47 MHz P-31H-1} NMR spectrum of 4; the solution structure and the solid-state structures are found to be very nearly identical.