| 1414780-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1414780-01-0
• 化学式: C₂₄H₂₈P₂S₄
• 分子量: 506.698
• InChiKey: POPLFSRLKWQMSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-甲基噻吩 、 1,4-双(二氯化磷)丁烷 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 4.0h， 以72%的产率得到
  参考文献：
  名称：

  Steric and electronic factors in the promoting activity of diphosphine ligands in cyclohexene hydrocarbomethoxylation catalyzed by palladium acetate

  摘要：

  Cyclohexene hydrocarbomethoxylation catalyzed by Pd(OAc)(2)-p-toluenesulfonic acid-diphosphine systems has been investigated for a wide range of diphosphine structures and concentrations. The factors controlling the activity of the palladium-containing catalysts include the hydrocarbon moiety of the ligand and the mutual arrangement of the phosphine groups. A comparison between the promoting effects of monophosphine and diphosphine ligands has demonstrated that bridged trans-diphosphines are more efficient in kinetic and concentration terms (TOF and P/Pd ratio, respectively). In particular, the promoting activity of diphosphines is one order of magnitude higher than that of triphenylphosphine, and this effect is attained at 8-65 times lower P/Pd ratios. It is discussed how the catalytic properties of the systems depend on the chelate effect and on the geometric compatibility between the diphosphine structure and the arrangement of vacant s and d orbitals of the palladium center.

  DOI：

  10.1134/s0023158412040076