| 1227479-98-2

• CAS: 1227479-98-2
• 化学式: C₂₆H₃₄Br₂Cl₂N₂Pd
• 分子量: 711.703
• InChiKey: PLGPZFAUVOASKQ-SLZRKIOHSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  N,N-Bis-<2,6-Diisopropylphenyl>-oxalimidoylchlorid 、 palladium(II) bromide 以 四氢呋喃 为溶剂， 以3.1%的产率得到
  参考文献：
  名称：

  Synthesis and structural investigations of Ni(II)- and Pd(II)-coordinated α-diimines with chlorinated backbones

  摘要：

  Novel square planar Pd(II) alpha-diimines [PdX2{ArN=C(Cl)}(2)], where Ar = C6H5, (2,6-Me2C6H3), (2,6-(Pr2C6H3)-Pr-i) and X = Cl or Br, and the octahedral Ni(II) complex [NiBr2{(C6H5)N=C(Cl)}(2)(THF)(2)] have been prepared and characterised by spectroscopic methods. For two of the Pd(II) complexes and the Ni(II) complex the crystal structures were determined by X-ray crystallography. A further insight into the geometry and electronic structure of [PdBr2{(2,6-Me2C6H3)N=C(Cl)}(2)] was gained using density functional theoretical calculations (DFT). This compound resembles structurally and electronically typical olefin polymerisation pre-catalysts supported by alpha-diimines incorporating methyl-and 1,8-naphtalenyl substituents at the ligand backbone. The chlorine-substituted backbone of the free ligand [2,6-Me2C6H3N=C(Cl)](2) can be employed in further alkylation reactions to generate new multifunctional ligand prototypes with potential uses as ansa-metallocene/diimines building blocks for catalytic applications of heterobimetallic complexes. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.11.009