((4-((4-((4-((3,5-di-tert-butyl-4-methoxyphenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)trimethylsilane | 1418130-56-9

• 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: ((4-((4-((4-((3,5-di-tert-butyl-4-methoxyphenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)trimethylsilane
• 英文别名: 2-[4-[2-[4-[2-[4-[2-(3,5-Ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-trimethylsilane；2-[4-[2-[4-[2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-trimethylsilane
• CAS: 1418130-56-9
• 化学式: C₄₄H₄₄OSi
• 分子量: 616.918
• InChiKey: BIRATGQIHSNRDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.72
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  ((4-((4-((4-((3,5-di-tert-butyl-4-methoxyphenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)trimethylsilane 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 四丁基氟化铵 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 ((4-((4-((4-((4-((3,5-di-tert-butyl-4-methoxyphenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)trimethylsilane
  参考文献：
  名称：

  Investigation of oxygen-free Sonogashira step growth synthesis of mono-terminated di-tert-butyl-substituted oligo(phenylene ethynylene)s (OPEs)

  摘要：

  A series of oligomers, the hetero-coupled mono-terminated di-tert-butyl-substituted phenylene ethynylene dimer, trimer, tetramer, and pentamer have been successfully synthesized in a stepwise process and characterized. Their electronic properties have been studied by UV-vis and fluorescence spectroscopy. Both UV absorption and FL emission maxima have red shift trends with increasing conjugation length of the oligomers. In addition, homo-coupling products inevitably complicate the hetero-coupling reaction. With increasing substituent group size on the terminal alkyne, the amount of homo-coupling product is increased. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.11.063
• 作为产物：
  描述：

  1,3-di-tert-butyl-5-iodo-2-methoxy benzene 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 四丁基氟化铵 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 122.0h， 生成 ((4-((4-((4-((3,5-di-tert-butyl-4-methoxyphenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)trimethylsilane
  参考文献：
  名称：

  Investigation of oxygen-free Sonogashira step growth synthesis of mono-terminated di-tert-butyl-substituted oligo(phenylene ethynylene)s (OPEs)

  摘要：

  A series of oligomers, the hetero-coupled mono-terminated di-tert-butyl-substituted phenylene ethynylene dimer, trimer, tetramer, and pentamer have been successfully synthesized in a stepwise process and characterized. Their electronic properties have been studied by UV-vis and fluorescence spectroscopy. Both UV absorption and FL emission maxima have red shift trends with increasing conjugation length of the oligomers. In addition, homo-coupling products inevitably complicate the hetero-coupling reaction. With increasing substituent group size on the terminal alkyne, the amount of homo-coupling product is increased. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.11.063

文献信息

• Investigation of oxygen-free Sonogashira step growth synthesis of mono-terminated di-tert-butyl-substituted oligo(phenylene ethynylene)s (OPEs)
  作者：Xinyan Bai、Xueyi Chen、Charles Barnes、Jerry R. Dias、T.C. Sandreczki

  DOI：10.1016/j.tet.2012.11.063

  日期：2013.1

  A series of oligomers, the hetero-coupled mono-terminated di-tert-butyl-substituted phenylene ethynylene dimer, trimer, tetramer, and pentamer have been successfully synthesized in a stepwise process and characterized. Their electronic properties have been studied by UV-vis and fluorescence spectroscopy. Both UV absorption and FL emission maxima have red shift trends with increasing conjugation length of the oligomers. In addition, homo-coupling products inevitably complicate the hetero-coupling reaction. With increasing substituent group size on the terminal alkyne, the amount of homo-coupling product is increased. (C) 2012 Elsevier Ltd. All rights reserved.