| 1231716-81-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1231716-81-6
• 化学式: C₈₂H₅₆O₄
• 分子量: 1105.34
• InChiKey: XCGRPHXIOMLALA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.24
• 重原子数：
  86.0
• 可旋转键数：
  4.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 甲胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 48.0h， 以73%的产率得到[36-(Hydroxymethyl)-9,31,41,63-tetramethyl-4-tridecacyclo[59.3.1.12,6.17,11.118,22.129,33.134,38.139,43.150,54.014,19.021,26.046,51.053,58]doheptaconta-1(64),2(72),3,5,7,9,11(71),14,16,18(70),19,21,23,25,29(69),30,32,34,36,38(68),39,41,43(67),46,48,50,52,54(66),55,57,61(65),62-dotriacontaen-12,27,44,59-tetraynyl]methanol
  参考文献：
  名称：

  Macrocyclic Amphiphiles with 1,8-Anthrylene Fluorophores: Synthesis and Attempts toward Two-Dimensional Organization

  摘要：

  New macrocyclic amphiphiles with two or three integrated 1,8-anthrylenes have been synthesized by an iterative Sonogashira cross-coupling protocol. The final cyclization has been conducted with 80% yield under cuprous-free dilution conditions. Formation of a monolayer at the air/water interface has also been demonstrated. These results open the intriguing possibility to construct large 2D supramolecular/macromolecular systems for which unique photophysical and -chemical properties are expected.

  DOI：

  10.1021/ol100877g
• 作为产物：
  描述：

  [3,5-Bis(3-bromo-5-methylphenyl)phenyl]methanol 、 、 乙酰氯 在 四(三苯基膦)钯 、 tetra-n-butylammoniumfluoride trihydrate 、 三乙胺 、 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 反应 240.0h， 以0.049 g的产率得到
  参考文献：
  名称：

  Macrocyclic Amphiphiles with 1,8-Anthrylene Fluorophores: Synthesis and Attempts toward Two-Dimensional Organization

  摘要：

  New macrocyclic amphiphiles with two or three integrated 1,8-anthrylenes have been synthesized by an iterative Sonogashira cross-coupling protocol. The final cyclization has been conducted with 80% yield under cuprous-free dilution conditions. Formation of a monolayer at the air/water interface has also been demonstrated. These results open the intriguing possibility to construct large 2D supramolecular/macromolecular systems for which unique photophysical and -chemical properties are expected.

  DOI：

  10.1021/ol100877g