1,7-bis(4-pyridyl)octamethyltetrasiloxane | 1174397-79-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 1,7-bis(4-pyridyl)octamethyltetrasiloxane
• 英文别名: p-poms
• CAS: 1174397-79-5
• 化学式: C₁₈H₃₂N₂O₃Si₄
• 分子量: 436.806
• InChiKey: LJLWWDSGUORKQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  53.47
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,7-bis(4-pyridyl)octamethyltetrasiloxane 以 乙醇 、 氯仿 、 丙酮 为溶剂， 生成 [PdCl2(p-poms)]3
  参考文献：
  名称：

  Ring-expansion and solvation of cyclodimeric Pd(II) complex

  摘要：

  The reaction of (COD)PdCl2 (COD = 1,5-cyclooctadiene) in ethanol with 1,7-bis(4-pyridyl)octamethyltetrasiloxane (p-pours) in acetone at room temperature affords single crystals consisting of cyclodimers, [PdCl2(p-pours)](2), whereas the reaction in the solvents at boiling temperature yields amorphous solid of cyclotrimers, [PdCl2(p-poms)](3). The cyclodimers are completely converted to the cyclotrimers in a boiling chloroform solution. In contrast, the cyclotrimers are partly returned to the cyclodimers in chloroform in the 10-60 degrees C range. Furthermore, the cyclodimers are retained in dimethyl sulfoxide (Me2SO), but sonication of the Me2SO solution results in the stepwise transformation to the cyclotrimers of stepwise Me2SO-adducts, [Pd3Cl5(Me2SO)(p-poms)3]center dot Cl and [PdCl(Me2SO)(p-pours)]3 center dot Cl-3 and further the sonication at 60 degrees C finally yields [Pd(Me2SO)(2)(p-poms)](3)center dot Cl-6. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.03.030