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 | 194015-37-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 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
• CAS: 194015-37-7
• 化学式: C₇₂H₉₇BrO₈
• 分子量: 1170.46
• InChiKey: TVLPMVOMIULPBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.2
• 重原子数：
  81
• 可旋转键数：
  39
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  [4-[4-[4-[4-Bromo-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 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 以99%的产率得到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
  参考文献：
  名称：

  Synthesis and Characterization of Monodisperse Oligo(phenyleneethynylene)s

  摘要：

  DOI：

  10.1021/jo970548x