| 164663-74-5

• CAS: 164663-74-5
• 化学式: C₄₀H₄₆Cl₂Pd₂S₂
• 分子量: 874.683
• InChiKey: BIRQMCWNVNFGJB-UHFFFAOYSA-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

• 作为产物：
  描述：

  {Pd(C6H4(C6H4SMe-o)-2)(μ-Cl)}2 、 4,4-二甲基-2-戊炔 以 氯苯 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  Regioselectivity of the Insertion of 4,4-Dimethyl-2-Pentyne into the Pd-C Bond of Cyclopalladated Complexes

  摘要：

  The mono-insertion of 4,4-dimethyl-2-pentyne into the Pd-C bond of a series of cyclopalladated complexes has been studied. In most cases these reactions were found to be highly regioselective, and stable organometallic complexes could often be isolated. Two basic trends were found for these reactions. When chelation of the donor atom to palladium was relatively important, the regioisomer obtained had the t-Bu fragment on the same carbon as the palladium atom. In the absence of such coordination, the opposite regiochemistry was observed. These results were interpreted by taking into account the pre-insertion scenario involving eta(2)-coordination of the alkyne to the metal. The X-ray crystal structures of [PdC-(t-Bu)=C(Me)C6H4-2-CH(2)SMe(C5H5N)Cl], 7a, [PdC(Me)=C(t-Bu)C6H4-2-CH2S-t-Bu(C5H5N)I], 7c, and [PdC(t-Bu)=C(Me)-2-C6H4C6H4-2'-SMe(C5H5N)Cl] 10b, were determined.

  DOI：

  10.1021/om00005a022