PdCl(dimethylsulfoxide)(μ-4-aminoazobenzene)PdCl(dimethylsulfoxide) | 864515-28-6

• 英文名称: PdCl(dimethylsulfoxide)(μ-4-aminoazobenzene)PdCl(dimethylsulfoxide)
• 英文别名: (PdCl(dimethyl sulfoxide))2(μ-4-aminoazobenzene(-2H))
• CAS: 864515-28-6；864515-26-4；864439-69-0；864439-71-4
• 化学式: C₁₆H₂₁Cl₂N₃O₂Pd₂S₂
• 分子量: 635.24
• InChiKey: NTFDCIFJRDPVQY-BZTRWXGOSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  对氮蒽蓝 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 PdCl(dimethylsulfoxide)(μ-4-aminoazobenzene)PdCl(dimethylsulfoxide)
  参考文献：
  名称：

  Simple Route to the Doubly ortho-Palladated Azobenzenes:  Building Blocks for Organometallic Polymers and Metallomesogens

  摘要：

  A new class of doubly cyclopalladated complexes, {PdCl(dmf)}(2-)(mu-azb) (1) and {PdCl(dmf)}(2)(mu-aazb) (2), has been prepared in dimethylformamide (dmf) by reaction of azobenzene (azb) and 4-aminoazobenzene (aazb), respectively, with an excess of PdCl2(CH3CN)(2) complex. Recrystallization of 1 and 2 in dimethyl sulfoxide (dmso) yields complexes {PdCl(dmso)}(2)(mu-azb) (3) and {PdCl(dmso)}(2)(mu-aazb) (4), respectively. The crystal structures of 1 and 4 have been determined by X-ray diffraction. All complexes are characterized by H-1 and C-13 NMR spectra and elemental analysis. In both crystal structures, solvent molecules are bound to palladium through oxygen atoms and oriented trans to carbon. In view of greater preference of palladium to nitrogen and sulfur atoms, the experimental structures were rationalized by quantum-chemical calculations and confirmed as the most stable isomers.

  DOI：

  10.1021/ic050747w