| 141411-64-5

• CAS: 141411-64-5
• 化学式: CF₃O₃S*C₅₄H₄₅ClP₃Pd
• 分子量: 1077.82
• InChiKey: ROLQPYGCRWLUKD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  11.07
• 重原子数：
  67.0
• 可旋转键数：
  12.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  以 四氢呋喃 为溶剂， 以97%的产率得到{(Ph3P)4Pd2(μ-Cl)2}{OSO2CF3}2
  参考文献：
  名称：

  氟化物诱导的钯（II）和铂（II）膦配合物的还原

  摘要：

  A novel redox reaction involving fluoride and phosphine complexes of palladium(II) is reported. The scope of this reaction has been investigated using the ligands PPh3, Ph2P(CH2)nPPh2 (n = 1-4), Ph2PCH2C(CH3)2CH2PPh2, Ph2PCH3, and P(CH2CH2CN)3; several solvents including DMSO, pyridine, acetonitrile, and THF; and either n-Bu4NF.3H2O or KF/18-crown-6 as the fluoride source. The reduction products are palladium(0) phosphine complexes for which this reaction offers a convenient synthetic route. P-31 and F-19 NMR spectra permitted identification of the initial oxidation products as difluorophosphoranes (R3PF2), which subsequently hydrolyzed, forming phosphine oxides if a hydrated fluoride source is used. Results implicating a fluoride-induced redox reaction in the thermal decomposition of [(Ph3P)3PdCl]BF4 to yield [Pd3Cl(PPh2)2(PPh3)3] BF4 are also presented. Preliminary results indicate that platinum complexes also undergo this reaction, but nickel complexes yield NiF2. The X-ray parameters for Pd(dppp)2 (dppp = 1,3-bis(diphenyphosphino)propane) are: monoclinic, space group C2/c (No. 15), a = 18.396 (2) angstrom, b = 13.290 (1) angstrom, c = 20.186 (2) angstrom, beta = 109.383 (5)-degrees, and Z = 4.

  DOI：

  10.1021/om00042a040
• 作为产物：
  描述：

  silver trifluoromethanesulfonate 、 bis-triphenylphosphine-palladium(II) chloride 在 Ph₃P 作用下， 以 硝基甲烷 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  氟化物诱导的钯（II）和铂（II）膦配合物的还原

  摘要：

  A novel redox reaction involving fluoride and phosphine complexes of palladium(II) is reported. The scope of this reaction has been investigated using the ligands PPh3, Ph2P(CH2)nPPh2 (n = 1-4), Ph2PCH2C(CH3)2CH2PPh2, Ph2PCH3, and P(CH2CH2CN)3; several solvents including DMSO, pyridine, acetonitrile, and THF; and either n-Bu4NF.3H2O or KF/18-crown-6 as the fluoride source. The reduction products are palladium(0) phosphine complexes for which this reaction offers a convenient synthetic route. P-31 and F-19 NMR spectra permitted identification of the initial oxidation products as difluorophosphoranes (R3PF2), which subsequently hydrolyzed, forming phosphine oxides if a hydrated fluoride source is used. Results implicating a fluoride-induced redox reaction in the thermal decomposition of [(Ph3P)3PdCl]BF4 to yield [Pd3Cl(PPh2)2(PPh3)3] BF4 are also presented. Preliminary results indicate that platinum complexes also undergo this reaction, but nickel complexes yield NiF2. The X-ray parameters for Pd(dppp)2 (dppp = 1,3-bis(diphenyphosphino)propane) are: monoclinic, space group C2/c (No. 15), a = 18.396 (2) angstrom, b = 13.290 (1) angstrom, c = 20.186 (2) angstrom, beta = 109.383 (5)-degrees, and Z = 4.

  DOI：

  10.1021/om00042a040