| 159508-86-8

• CAS: 159508-86-8
• 化学式: C₄₈H₄₄Cl₄N₄O₈Pd₄
• 分子量: 1372.39
• InChiKey: AQDHYAQUEPFBHZ-JLPXOYHMSA-J

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：

  ammonium hexafluorophosphate 、 、 1,1-双(二苯基膦)乙烯 以 丙酮 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  The chemistry of N-benzylidene-1,4-phenylenediamine palladacycles: The crystal and molecular structure of the first tetranuclear palladacycle with bridging Ph2PCH2PPh2 ligands

  摘要：

  The reaction of the tetranuclear halide-bridged complexes 1-2(a-d) with Ph2PCH2PPh2 (dppm) or Ph2PC(=CH2)PPh2 (vdpp) in 1:2 molar ratio and NH4PF6 afforded the novel tetarnuclear palladacycles 3-6 (a, c, d) as 1:2 electrolytes with bridging diphosphine and halogen ligands. The structure of 4a has been determined by X-ray diffraction analysis, and represents the first example of a tetranuclear palladacycle with bridging dppm and halogen ligands. Reaction of 1-2(a-d) with (Ph2PCH2CH2)(2)PPh (triphos) in 1:2 molar ratio gave 7(a-d) bearing two pentacoordinated palladium atoms. The structure of 7a, as determined by X-ray diffraction analysis, shows the distorted square pyramidal geometry around the metal centers. Treatment of 1-2(a-d) with dppm, vdpp or Ph2PN(Me)PPh2 (dppma) in 1:4 molar ratio gave the dinuclear palladacycles 8-10(a-d) with a chelating diphosphine ligand at each metal center; further treatment of 9(a-c) with the nucleophiles pyrrolidine, piperidine, morpholine or 4-methylpiperidine gave the Michael addition derivatives 11-12(a-c), 13b, 13c and 14c, promoted by the withdrawing effect of the palladacycle which activates the C=CH2 double bond. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.12.016

文献信息

• Dinuclear cyclometallated complexes of PdII with diphosphines. X-ray crystal structure of
  作者：JoséM. Vila、Miguel Gayoso、Margarita López Torres、Jesús J. Fernandez、Alberto Fernández、Juan M. Ortigueira、Neil A. Bailey、Harry Adams

  DOI：10.1016/0022-328x(95)05941-h

  日期：1996.4

  Treatment of the cyclometallated halide-bridged complexes [1,4-Pd[2,3,4-(MeO)(3)C6HC(H)=N](X)}2C6H4](2) (1a, 2a), [1,4-Pd[2,4-(MeO)(2)C6H2C(H)=N](X)}2C6H4](2) (1b, 2b), [1,4-Pd[3-Me-4-MeOC6H2C(H)=N](X)}2C6H4](2) (1c, 2c), [1,4-Pd[4,5-(OCH2O)C6H2C(H)=N](X)}2C6H4](2) (1d, 2b) (X=Cl, Br) with ditertiary diphosphines in a complex/diphosphine 1:4 molar ratio and ammonium hexafluorophosphate gave the dinuclear cyclometallated complexes [1,4Pd[2,3,4-(MeO)(3)C6HC(H)=N]}2C6H4(L-L)(2)][PF6](2) [L-L=Ph(2)PCH(CH3)PPh(2), Ph(2)P(CH2)(2) PPh(2), 3a, 4a], [1,4-Pd[2,4-(MeO)(2)C6H2C(H)=N]}2C6H4(L-L)(2)][PF6](2), [L-L=Ph(2)PCH(CH3)PPh(2), Ph(2)P(CH2)(2)PPh(2), 3b, 4b] [1,4-Pd[3-Me-4-MeOC(6)H(2)C(H)=N]}2C6H4(L-L)(2)][Pf(6)](2) [L-L=Ph(2)PCH(CH3)PPh(2), Ph(2)P(CH2)(n)PPh(2), n=2, 3, 3c, 4c, 5c], [1,4-Pd[4,5-(OCH2O)C6H2C(H)=N]}2C6H4(L-L)(2)][PF6](2) [L-L=Ph(2)PCH(CH3)PPh(2), Ph(2)P(CH2)(n)PPh(2), n=2, 3, 4, 3d, 4d, 5d, 6d]. The influence of ring size on the phosphorus chemical shift is discussed. The compounds were characterized by microanalysis (C, H, N), IR and P-31-H-1} and H-1 NMR spectroscopy. The structure of the dinuclear cyclometallated palladium(II) complex [1,4-Pd[2,4-(MeO)(2)C6H2C(H)=N]}2C6H4Ph(2)P(CH2)(3)PPh(2)-PP}(2)][PF6](2) is described. There are two different crystallographic molecules per asymmetric unit.