[Pd2(1,2-bis(diisopropylphosphino)ethane)2(μ-1,2-bis(diisopropylphosphino)ethane)] | 175693-23-9

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: [Pd2(1,2-bis(diisopropylphosphino)ethane)2(μ-1,2-bis(diisopropylphosphino)ethane)]
• 英文别名: [Pd(1,2-bis(diisopropylphosphino)ethane)]2(μ-1,2-bis(diisopropylphosphino)ethane)；[Pd₂(1,2-bis(diisopropylphosphino)ethane)₂(μ-1,2-bis(diisopropylphosphino)ethane)]；[Pd₂(dippe)₂(μ-dippe)]
• CAS: 175693-23-9
• 化学式: C₄₂H₉₆P₆Pd₂
• 分子量: 999.907
• InChiKey: DROMISREIGWVPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.75
• 重原子数：
  50.0
• 可旋转键数：
  17.0
• 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(1,2-bis(diisopropylphosphino)ethane)2(μ-1,2-bis(diisopropylphosphino)ethane)] 、 氯苯 在 MeONa 作用下， 以 甲醇 为溶剂， 生成 PdCl(Ph)(1,2-bis(diisopropylphosphino)ethane)
  参考文献：
  名称：

  Solution and Solid-State Structures of the Binuclear Zerovalent Palladium Complex [(dippe)Pd]₂(μ-dippe) (dippe = 1,2-Bis(diisopropylphosphino)ethane)

  摘要：

  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-31{H-1} NMR spectrum of 4; the solution structure and the solid-state structures are found to be very nearly identical.

  DOI：

  10.1021/om950825v
• 作为产物：
  描述：

  [(1,2-(bis-di-isopropylphosphino)ethane)PdCl2] 在 KBEt₃H 作用下， 以 甲苯 为溶剂， 以35%的产率得到[Pd2(1,2-bis(diisopropylphosphino)ethane)2(μ-1,2-bis(diisopropylphosphino)ethane)]
  参考文献：
  名称：

  Solution and Solid-State Structures of the Binuclear Zerovalent Palladium Complex [(dippe)Pd]₂(μ-dippe) (dippe = 1,2-Bis(diisopropylphosphino)ethane)

  摘要：

  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-31{H-1} NMR spectrum of 4; the solution structure and the solid-state structures are found to be very nearly identical.

  DOI：

  10.1021/om950825v

文献信息

• Room-Temperature Carbon–Sulfur Bond Activation by a Reactive (dippe)Pd Fragment
  作者：Lloyd Munjanja、William W. Brennessel、William D. Jones

  DOI：10.1021/acs.organomet.5b00194

  日期：2015.5.11

  The reactivity of [Pd(dippe)(μ-H)]2 (1) and [(μ-dippe)Pd]2 (2) (dippe = 1,2-bis(diisopropylphosphino)ethane) toward C–S bonds in thiophene derivatives and thioethers was investigated, which led to C–S bond activation products. The thiapalladacycles derived from thiophenic substrates were fully characterized by 1H, 31P, and 13C NMR spectroscopy, elemental analysis, and X-ray diffraction. The stability

  [Pd（dippe）（μ-H）] 2（1）和[（μ-dippe）Pd] 2（2）（dippe = 1,2-双（二异丙基膦基）乙烷）对C–S键的反应性对噻吩衍生物和硫醚进行了研究，从而得到了CS键活化产物。通过1 H，31 P和13 C NMR光谱，元素分析和X射线衍射对源自噻吩底物的噻吩四环进行了全面表征。的C-S插入产品的稳定性通过进行随后的热力学稳定性顺序（dippe）竞争实验的Pd（κ探测2 Ç，小号苯并噻）（6）>（dippe）的Pd（κ 2 ç，小号-dibenzothiophene）（8）>（dippe）的Pd（κ 2 ç，小号-噻吩）（3）。研究了噻菌四环与小分子（例如H 2，CO和炔烃）的反应性。
• Reductive Routes to Dinuclear d¹⁰−d¹⁰ Palladium(0) Complexes and Their Redistribution Equilibria in Solution
  作者：Steven M. Reid、Mark J. Fink

  DOI：10.1021/om010281z

  日期：2001.7.1

  The reaction of hydrazine with (dcpe)PdCl2 or (dippe)Pd(OAc)(2) leads to high yields of the isolated dinuclear complexes [(mu -dcpe)Pd](2) and [(mu -dippe)Pd](2), respectively. In solution, these dinuclear complexes undergo a monomer-dimer equilibrium with their corresponding 14-electron (P-P)Pd fragments. Solutions containing both [(mu -dcpe)Pd](2) and [(mu -dippe)Pd](2) give near statistical amounts of the novel "mixed" dimer (mu -dcpe)(mu -dippe)Pd-2.