1,4-bis(6-ethynyl-9-butylcarbazol-3-yl)buta-1,3-diyne | 912941-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1,4-bis(6-ethynyl-9-butylcarbazol-3-yl)buta-1,3-diyne
• 英文别名: 9-Butyl-3-[4-(9-butyl-6-ethynylcarbazol-3-yl)buta-1,3-diynyl]-6-ethynylcarbazole
• CAS: 912941-93-6
• 化学式: C₄₀H₃₂N₂
• 分子量: 540.707
• InChiKey: BRKUGHLNXNTPHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,4-bis(6-ethynyl-9-butylcarbazol-3-yl)buta-1,3-diyne 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 碘 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 58,60,63,66-Tetrabutyl-58,60,63,66-tetrazatridecacyclo[51.3.1.12,6.13,56.111,15.114,17.116,20.125,29.128,31.130,34.139,43.142,45.144,48]octahexaconta-1(56),2,4,6(68),11(67),12,14,16,18,20(65),25(64),26,28,30,32,34(62),39(61),40,42,44,46,48(59),53(57),54-tetracosaen-7,9,21,23,35,37,49,51-octayne
  参考文献：
  名称：

  Novel Diethynylcarbazole Macrocycles:  Synthesis and Optoelectronic Properties

  摘要：

  Diethynylcarbazole macrocycles 1b and 2b have been synthesized by oxidative coupling of appropriate precursors. In particular, macrocycle 2b was prepared by bimolecular Pd-catalyzed oxidative coupling in 35% isolated yield. The spectroscopic properties of these macrocycles and their precursors were measured in detail. The films of these macrocycles by the dipping method and the Langmuir-Blodgett technique were fabricated to study their photoinduced charge-transfer properties. A rapid and steady cathodic photocurrent of these films was produced in a three-electrode cell when irradiated with white light. A possible mechanism of the photoinduced electron-transfer pathway was suggested.

  DOI：

  10.1021/jo0611869
• 作为产物：
  描述：

  9-butyl-3,6-diiodo-9H-carbazole 在 bis-triphenylphosphine-palladium(II) chloride 吡啶 、 氢氧化钾 、 sodium hydroxide 、 copper(l) iodide 、 copper diacetate 、 三乙胺 、 copper(l) chloride 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 100.0h， 生成 1,4-bis(6-ethynyl-9-butylcarbazol-3-yl)buta-1,3-diyne
  参考文献：
  名称：

  Novel Diethynylcarbazole Macrocycles:  Synthesis and Optoelectronic Properties

  摘要：

  Diethynylcarbazole macrocycles 1b and 2b have been synthesized by oxidative coupling of appropriate precursors. In particular, macrocycle 2b was prepared by bimolecular Pd-catalyzed oxidative coupling in 35% isolated yield. The spectroscopic properties of these macrocycles and their precursors were measured in detail. The films of these macrocycles by the dipping method and the Langmuir-Blodgett technique were fabricated to study their photoinduced charge-transfer properties. A rapid and steady cathodic photocurrent of these films was produced in a three-electrode cell when irradiated with white light. A possible mechanism of the photoinduced electron-transfer pathway was suggested.

  DOI：

  10.1021/jo0611869