1-((4-acetylthiophenyl)ethynyl)-4-((4-pyridyl)ethynyl)benzene | 1073675-34-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: 1-((4-acetylthiophenyl)ethynyl)-4-((4-pyridyl)ethynyl)benzene
• 英文别名: S-[4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]phenyl] ethanethioate
• CAS: 1073675-34-9
• 化学式: C₂₃H₁₅NOS
• 分子量: 353.444
• InChiKey: URYHGDICIHWKNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  spiro[2-cyclopropene-1,9'-fluorene]-2,3-dimethyldicarboxylate 、 1-((4-acetylthiophenyl)ethynyl)-4-((4-pyridyl)ethynyl)benzene 以 四氢呋喃 为溶剂， 反应 15.0h， 以96%的产率得到dimethyl 7'-((4-((4-(acetylthio)phenyl)ethynyl)phenyl)ethynyl)-8a'H-spiro[fluorene-9,1'-indolizine]-2',3'-dicarboxylate
  参考文献：
  名称：

  Synthesis of dihydroindolizines for potential photoinduced work function alteration

  摘要：

  Seeking to immobilize photochromophores on metallic surfaces, we have synthesized four molecules which contain both a photoresponsive dihydroindolizine (DHI) core and a sulfur containing moiety, which allow for their assembly onto gold substrates. Sonogashira, Suzuki, or Ullmann couplings are employed to generate pyridines with pendant thioacetates (or disulfides). The pyridines are condensed with spiro[2-cyclopropene-1,9'[9H]fluorene]-2,3-dimethyl ester affording the targeted DHIs. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.097
• 作为产物：
  描述：

  4-碘吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 二异丙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 103.5h， 生成 1-((4-acetylthiophenyl)ethynyl)-4-((4-pyridyl)ethynyl)benzene
  参考文献：
  名称：

  Synthesis of dihydroindolizines for potential photoinduced work function alteration

  摘要：

  Seeking to immobilize photochromophores on metallic surfaces, we have synthesized four molecules which contain both a photoresponsive dihydroindolizine (DHI) core and a sulfur containing moiety, which allow for their assembly onto gold substrates. Sonogashira, Suzuki, or Ullmann couplings are employed to generate pyridines with pendant thioacetates (or disulfides). The pyridines are condensed with spiro[2-cyclopropene-1,9'[9H]fluorene]-2,3-dimethyl ester affording the targeted DHIs. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.097

文献信息

• NOVEL CHEMISTRY USED IN BIOSENSORS
  申请人：OHMX Corporation

  公开号：US20140311922A1

  公开（公告）日：2014-10-23

  The invention relates to novel compositions and methods for the detection of analytes using the nuclear reorganization energy, λ, of an electron transfer process.
• US8734631B2
  申请人：——

  公开号：US8734631B2

  公开（公告）日：2014-05-27