Tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane | 1609561-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: Tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
• CAS: 1609561-75-2
• 化学式: C₂₈H₂₀N₈Si
• 分子量: 496.606
• InChiKey: MSHRHQVLQOQRIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-氮杂吲哚 在 N-甲基咪唑 、 四氯化硅 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以59%的产率得到Tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
  参考文献：
  名称：

  7-Azaindol-1-yl(organo)silanes and Their PdCl₂ Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd–Si Axis

  摘要：

  Supported by excess triethylamine, 7-azaindole (HL) and dichlorodimethylsilane (Me2SiCl2), methyltrichlorosilane (MeSiCl3), and tetrachlorosilane (SiCl4) react, respectively, with formation of the 7-azaindol-1-yl-substituted silanes Me2SiL2, MeSiL3, and SiL4. In these compounds the silicon atom adopts [4+2], [4+3], and [4+4] coordination, respectively, with the pyridine N atoms of the 7-azaindol-1-yl groups capping the tetrahedral Si coordination sphere from distances of >3 angstrom. Two pyridine nitrogen atoms of these silanes replace the acetonitrile ligands of [PdCl2(NCMe)(2)], thus forming the complexes Me2Si(mu-L)2PdCl(2), MeSiL(mu-L)(2)PdCl2, and SiL2(mu-L)(2)PdCl2. In addition to capping of the silicon coordination sphere by the pyridine N atoms of the dangling 7-azaindol-1-yl groups (in MeSiL(mu-L)(2)Pda(2) and SiL2(mu-L)(2)PdCl2), these three palladium complexes exhibit capping of one tetrahedral face of the Si coordination sphere by the palladium atom (with Si center dot center dot center dot Pd separations of 3.34, 3.43, and 3.31 angstrom, respectively). According to computational analyses, the paddlewheel complex ClSi(mu-L)(4)PdCl should be energetically favored over its isomer SiL2(mu-L)(2)PdCl2; however, isomerization into this paddlewheel compound requires higher temperatures (150 degrees C) or the addition of a Lewis acid (such as GaCl3).

  DOI：

  10.1021/om401220m