1,4-bis(dimethyl-4-pyridylsilyl)benzene | 892965-70-7

• 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: 1,4-bis(dimethyl-4-pyridylsilyl)benzene
• 英文别名: p-psb；[4-[Dimethyl(pyridin-4-yl)silyl]phenyl]-dimethyl-pyridin-4-ylsilane；[4-[dimethyl(pyridin-4-yl)silyl]phenyl]-dimethyl-pyridin-4-ylsilane
• CAS: 892965-70-7
• 化学式: C₂₀H₂₄N₂Si₂
• 分子量: 348.595
• InChiKey: DVXIOXMTSZSTBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 乙醇 、 1,4-bis(dimethyl-4-pyridylsilyl)benzene 以 乙醇 、 丙酮 为溶剂， 以63%的产率得到[PdCl2(p-psb)]2*C2H5OH
  参考文献：
  名称：

  Subtle Ring-Constraint Effects on the Formation of Metallacycles. Cyclodimer versus Cyclotrimer of Bis(chloro)-1,4-bis(dimethyl-3 or 4-pyridylsilyl)benzenepalladium(II) Complexes

  摘要：

  Stepwise modulation of the ring size of metallacyclic compounds via subtle ring-constraint effects has been established. The reactions of (COD)PdCl2 with p- or m-psb ligand [COD = 1,5-cyclooctadiene; p-psb = 1,4-bis(dimethyl-4-pyridylsilyl)benzene; m-psb = 1,4-bis(dimethyl-3-pyridylsilyl)benzene] in a mixture of acetone and ethanol at room temperature produce the metallacyclodimers [PdCl2(p- or m-psb)](2). The cyclodimeric species of [PdCl2(p-psb)](2) at the boiling temperature or via the sonication of the chloroform solution is completely converted to the cyclotrimer [PdCl2(p-psb)](3). Direct reaction of (COD)PdCl2 with p-psb in a mixture of acetone and ethanol at reflux temperature yields the same trimer, [PdCl2(p-psb)](3). Furthermore, equilibria between the kinetic product, [PdCl2(p-psb)](2), and the thermodynamic product, [PdCl2(p-psb)](3), have been observed in NN-dimethylformamide as well as in dimethyl sulfoxide. In contrast, the cyclodimeric structure of [PdCl2(m-psb)](2) is retained under the same treatment conditions for 40 h; that is, the trimeric species, [PdCl2(m-psb)](3), is not formed. Such a notable difference between [PdCl2(p-psb)](2) and [PdCl2(m-psb)](2) might be explained by their different angle constraints.

  DOI：

  10.1021/ic701489p

文献信息

• Supramolecular Framework with Two Different Kinds of Channels via Self-Assembly of 1D Coordination Polymers in a Prismatic Manner
  作者：Byung Il Park、In Sung Chun、Young-A Lee、Ki-Min Park、Ok-Sang Jung

  DOI：10.1021/ic052053t

  日期：2006.5.1

  Cu(ClO4)2 with p-C6H4(SiMe2(4-Py))2 yields a supramolecular framework consisting of two kinds of channels via self-assembly of a 1D double-stranded chain in a prismatic fashion. The channel has a 11 x 11 A2 cross section (Cu...C = 11.13 A) with a 6 x 6 A2 square pore. The channels are infinitely arranged, resulting in another kind of channel with similar pores. Thus, two different kinds of channels with different

  Cu（ClO4）2与p-C6H4（SiMe2（4-Py））2的缓慢扩散产生超分子框架，该超分子框架通过一维双链链的自组装以棱柱形方式由两种通道组成。通道的横截面为11 x 11 A2（Cu ... C = 11.13 A），孔为6 x 6 A2。通道无限地排列，从而导致另一种具有相似孔的通道。因此，具有不同溶剂化物分子的两种不同种类的通道以1：2的比例共存。弱的CH ... pi相互作用可能是棱柱形通道结构装配中的驱动力之一。