| 206436-93-3

• CAS: 206436-93-3
• 化学式: C₂₆H₄₅ClPdS₄
• 分子量: 627.78
• InChiKey: MFYKSZXHBGELSM-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  potassium tetrachloropalladate(II) 、 1,2,4,5-(tBuSCH2)4C6H2 在 NaOOCCH₃ 作用下， 以 乙醇 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  Mono- versus Dipalladation of the Durene-Based Tetrathioether Ligand 1,2,4,5-(tBuSCH₂)₄C₆H₂. Structures of [PdCl((tBuSCH₂)₄C₆H)] and [Pd₂((tBuSCH₂)₄C₆)(MeCN)₂][BF₄]₂

  摘要：

  Treatment of 1,2,4,5-(tBuSCH(2))(4)C6H2 with K2PdCl4/NaOAc in ethanol yielded only the monopalladated complex [PdCl((tBuSCH(2))(4)C6H)] regardless of whether 1 or 2 equiv of K2PdCl4 is used. Alternately, the reaction of 1,2,4,5-(tBuSCH(2))(4)C6H2 with 1 Or 2 equiv of [Pd(MeCN)(4)][BF4](2) in MeCN resulted in quantitative production of the dipalladated species [Pd-2((tBuSCH(2))(4)C-6)(MeCN)(2)][BF4](2) based on palladium starting material. The X-ray structures of the two products [PdCl((tBuSCH(2))(4)C6H)] and [Pd-2((tBuSCH(2))(4)C-6)(MeCN)(2)][BF4](2) are reported. MO calculations were consistent with the idea that the ligand trans to the first Pd-C bond dictates the electrophilic aromatic substitution pattern and determines whether a second palladation will occur. Thus, Pd-Cl is deactivating while (Pd-MeCN)(+) is activating, resulting in the formation of exclusively mono- and dipalladated products, respectively.

  DOI：

  10.1021/om980017e