[Pd(pte)PhI] | 1062138-83-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Pd(pte)PhI]
• 英文别名: benzene;palladium(2+);2-phenylsulfanylethylsulfanylbenzene;iodide
• CAS: 1062138-83-3
• 化学式: C₂₀H₁₉IPdS₂
• 分子量: 556.827
• InChiKey: NNWIUTCCLAVRPE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [Pd(pte)PhI] 、 二苄叉丙酮 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)

  摘要：

  Attempted preparation of NN- and S,S-chelate-stabilized arylpalladium fluorides has led to the finding of aryne-mediated fluorination of nonactivated haloarenes with Me4NF in DMSO under mild conditions.

  DOI：

  10.1021/om800520e
• 作为产物：
  描述：

  碘苯 、 1,2-联苯硫基乙烷 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 以 N,N-二甲基甲酰胺 为溶剂， 生成 [Pd(pte)PhI]
  参考文献：
  名称：

  Oxidative Addition of Ligand-Chelated Palladium(0) to Aryl Halides:  Comparison between 1,2-Bisthioethers and 1,2-Bisphosphines

  摘要：

  The kinetics of the oxidative addition of bidentate ligand-chelated Pd-0 complexes to phenyl iodide and bromide has been studied via cyclic voltammetry. The dibenzylideneacetone (dba) delivered by the palladium precursor Pd(dba)(2) was found to affect the concentration of the more reactive dba-free Pd-0 complex and consequently the kinetics of the overall oxidative addition. The complexes generated from Pd(dba)(2) and PhSCH2CH2SPh (pte) were found to be considerably more reactive than those generated from Pd(dba)(2) and Ph2PCH2CH2PPh2 (dppe). The former complexes can react with PhBr at low temperatures.

  DOI：

  10.1021/om060846x