| 166670-15-1

• CAS: 166670-15-1
• 化学式: C₂₈H₂₀Br₂F₄N₂Pd₂
• 分子量: 833.122
• InChiKey: WTWBICWAWWXNRV-MSZAACMHSA-L

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：

  、 三苯基膦 以 丙酮 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Cyclometallation of 3,5 disubstituted N-benzylideneamines by palladium(II). Synthesis and X-ray crystal structure of [Pd(3,5-F2C6H2CHNC6H5)Br(PPh3)2]

  摘要：

  The action of Pd(AcO)(2) on the imines C6R(5 . m)CH=N(CH2)(n)C6H5 have been studied. Five-membered endo metallacyles were obtained from the imines 1a (R=3,5-F-2, n=0), 1b (R=3,5-F-2, n=1), 1c (R=3,5-(MeO)(2), n=0) and 1d (R=3,5-(MeO)(2), n=1), by activation of a O(aromatic)-H bond, in spite of the presence of MeO or F substituents on the carbon atom adjacent to the metallation H-1 NMR spectra of the acetate bridged compounds [{Pd(C-N)(mu-AcO)}(2)] (2a-d) obtained show the existence of different isomers in solution. Complexes [PdBr(C-N)(PPh(3))] (4) and [PdBr(C-N)(PPh(3))(2)] (5) can be obtained by the action of PPh(3) on the new cyclometallated compounds. [Pd(3,5-F2C6H2CH=NC6H5)Br(PPh(3))(2)] crystallizes in the space group P2(1)/a with a=20.224(4), b=17.447(3), c=12.290(2) Angstrom, beta=110.12(3)degrees and Z=4. The dihedral angle between the metallated phenyl ring and the coordination plane is 86.6 degrees. An N=CH proton and a fluorine atom ortho to the Pd-C bond occupy the apical positions in the coordination sphere of the palladium atom.

  DOI：

  10.1016/0022-328x(94)05365-i
• 作为产物：
  描述：

  、 lithium bromide 以 乙醇 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Cyclometallation of 3,5 disubstituted N-benzylideneamines by palladium(II). Synthesis and X-ray crystal structure of [Pd(3,5-F2C6H2CHNC6H5)Br(PPh3)2]

  摘要：

  The action of Pd(AcO)(2) on the imines C6R(5 . m)CH=N(CH2)(n)C6H5 have been studied. Five-membered endo metallacyles were obtained from the imines 1a (R=3,5-F-2, n=0), 1b (R=3,5-F-2, n=1), 1c (R=3,5-(MeO)(2), n=0) and 1d (R=3,5-(MeO)(2), n=1), by activation of a O(aromatic)-H bond, in spite of the presence of MeO or F substituents on the carbon atom adjacent to the metallation H-1 NMR spectra of the acetate bridged compounds [{Pd(C-N)(mu-AcO)}(2)] (2a-d) obtained show the existence of different isomers in solution. Complexes [PdBr(C-N)(PPh(3))] (4) and [PdBr(C-N)(PPh(3))(2)] (5) can be obtained by the action of PPh(3) on the new cyclometallated compounds. [Pd(3,5-F2C6H2CH=NC6H5)Br(PPh(3))(2)] crystallizes in the space group P2(1)/a with a=20.224(4), b=17.447(3), c=12.290(2) Angstrom, beta=110.12(3)degrees and Z=4. The dihedral angle between the metallated phenyl ring and the coordination plane is 86.6 degrees. An N=CH proton and a fluorine atom ortho to the Pd-C bond occupy the apical positions in the coordination sphere of the palladium atom.

  DOI：

  10.1016/0022-328x(94)05365-i