2-[5-[2-[2-Bromo-3,6-bis(oct-1-ynyl)phenyl]ethynyl]-2,4-bis(oct-1-ynyl)phenyl]ethynyl-trimethylsilane | 865852-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[5-[2-[2-Bromo-3,6-bis(oct-1-ynyl)phenyl]ethynyl]-2,4-bis(oct-1-ynyl)phenyl]ethynyl-trimethylsilane
• 英文别名: 2-[5-[2-[2-bromo-3,6-bis(oct-1-ynyl)phenyl]ethynyl]-2,4-bis(oct-1-ynyl)phenyl]ethynyl-trimethylsilane
• CAS: 865852-82-0
• 化学式: C₅₁H₆₅BrSi
• 分子量: 786.067
• InChiKey: WJEYZJJLGCPHSG-UHFFFAOYSA-N

物化性质

• 沸点：
  792.5±60.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.37
• 重原子数：
  53
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-[5-[2-[2-Bromo-3,6-bis(oct-1-ynyl)phenyl]ethynyl]-2,4-bis(oct-1-ynyl)phenyl]ethynyl-trimethylsilane 在 氢氧化钾 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 1.0h， 以98%的产率得到2-bromo-3-((5-ethynyl-2,4-di(oct-1-yn-1-yl)phenyl)ethynyl)-1,4-di(oct-1-yn-1-yl)benzene
  参考文献：
  名称：

  1,3,6,9,12,14,17,20-Octaethynyltetrabenz[a,b,f,j,k,o]-4,5,10,11,15,16,21,22- octadehydro[18]annulene:  A Carbon-Rich Hydrocarbon

  摘要：

  Dodecaynes 1a-d have been prepared via a convergent strategy that employs Sonogashira couplings as the carbon-carbon bond-forming tool. Due to the steric bulk of the DMTS groups, 1c adopts a nonplanar conformation, the dynamics of which have been probed by VT-NMR. The cobalt-catalyzed isomerization of 1a,b produced the new conjugated phenylenes 2a,b and 3a,b, respectively.

  DOI：

  10.1021/ol051572x
• 作为产物：
  描述：

  1,5-二溴-2,4-二碘苯 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 正丁基锂 、 三乙胺 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 21.5h， 生成 2-[5-[2-[2-Bromo-3,6-bis(oct-1-ynyl)phenyl]ethynyl]-2,4-bis(oct-1-ynyl)phenyl]ethynyl-trimethylsilane
  参考文献：
  名称：

  1,3,6,9,12,14,17,20-Octaethynyltetrabenz[a,b,f,j,k,o]-4,5,10,11,15,16,21,22- octadehydro[18]annulene:  A Carbon-Rich Hydrocarbon

  摘要：

  Dodecaynes 1a-d have been prepared via a convergent strategy that employs Sonogashira couplings as the carbon-carbon bond-forming tool. Due to the steric bulk of the DMTS groups, 1c adopts a nonplanar conformation, the dynamics of which have been probed by VT-NMR. The cobalt-catalyzed isomerization of 1a,b produced the new conjugated phenylenes 2a,b and 3a,b, respectively.

  DOI：

  10.1021/ol051572x

文献信息

• 1,3,6,9,12,14,17,20-Octaethynyltetrabenz[<i>a</i>,<i>b</i>,<i>f</i>,<i>j</i>,<i>k</i>,<i>o</i>]-4,5,10,11,15,16,21,22- octadehydro[18]annulene:  A Carbon-Rich Hydrocarbon
  作者：Ognjen Š. Miljanić、Daniel Holmes、K. Peter C. Vollhardt

  DOI：10.1021/ol051572x

  日期：2005.9.1

  Dodecaynes 1a-d have been prepared via a convergent strategy that employs Sonogashira couplings as the carbon-carbon bond-forming tool. Due to the steric bulk of the DMTS groups, 1c adopts a nonplanar conformation, the dynamics of which have been probed by VT-NMR. The cobalt-catalyzed isomerization of 1a,b produced the new conjugated phenylenes 2a,b and 3a,b, respectively.