[4-[4-[4-[4-Iodo-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-trimethyl-silane | 194015-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [4-[4-[4-[4-Iodo-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-trimethyl-silane
• 英文别名: 2-[4-[2-[4-[2-[4-[2-[4-Iodo-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl-trimethylsilane
• CAS: 194015-21-9
• 化学式: C₇₅H₁₀₅IO₈Si
• 分子量: 1289.64
• InChiKey: PRRNKFUITXMLBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.12
• 重原子数：
  85
• 可旋转键数：
  40
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-Bromo-4-[2-[4-[2-[4-[2-[4-ethynyl-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)benzene 、 [4-[4-[4-[4-Iodo-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-trimethyl-silane 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二乙胺 作用下， 以 四氢呋喃 为溶剂， 以71%的产率得到2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-Bromo-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl]-2,5-bis(3-methylbutoxy)phenyl]ethynyl-trimethylsilane
  参考文献：
  名称：

  Synthesis and Characterization of Monodisperse Oligo(phenyleneethynylene)s

  摘要：

  DOI：

  10.1021/jo970548x
• 作为产物：
  描述：

  1-Bromo-4-iodo-2,5-bis-(3-methyl-butoxy)-benzene 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium hydroxide 、 copper(l) iodide 、 正丁基锂 、 1,2-二碘乙烷 、 二乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 4.5h， 生成 [4-[4-[4-[4-Iodo-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-2,5-bis-(3-methyl-butoxy)-phenylethynyl]-trimethyl-silane
  参考文献：
  名称：

  Synthesis and Characterization of Monodisperse Oligo(phenyleneethynylene)s

  摘要：

  DOI：

  10.1021/jo970548x