4-[2-[5-[2-(4-Methoxyphenyl)ethynyl]-1,1-dimethyl-3,4-diphenylsilol-2-yl]ethynyl]benzonitrile

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[2-[5-[2-(4-Methoxyphenyl)ethynyl]-1,1-dimethyl-3,4-diphenylsilol-2-yl]ethynyl]benzonitrile
• 化学式: C₃₆H₂₇NOSi
• 分子量: 517.702
• InChiKey: FZYRMEIWACFZDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.68
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  双(苯基乙炔基)二甲基硅烷 在 四(三苯基膦)钯 、 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 4-[2-[5-[2-(4-Methoxyphenyl)ethynyl]-1,1-dimethyl-3,4-diphenylsilol-2-yl]ethynyl]benzonitrile
  参考文献：
  名称：

  Synthesis and Electronic Properties of Donor−Acceptor π-Conjugated Siloles

  摘要：

  An efficient method is presented for the synthesis of novel donor-acceptor silole chromophores through selective monohalogenation of 2,5-dimetallosiloles followed by Negishi alkyne cross-coupling reactions. The electronic properties and crystal packing of these new siloles can be controlled through judicious combinations of peripheral functional groups.

  DOI：

  10.1021/ja049758z

文献信息

• Synthesis and Electronic Properties of Donor−Acceptor π-Conjugated Siloles
  作者：A. J. Boydston、Youshi Yin、Brian L. Pagenkopf

  DOI：10.1021/ja049758z

  日期：2004.3.1

  An efficient method is presented for the synthesis of novel donor-acceptor silole chromophores through selective monohalogenation of 2,5-dimetallosiloles followed by Negishi alkyne cross-coupling reactions. The electronic properties and crystal packing of these new siloles can be controlled through judicious combinations of peripheral functional groups.