[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 | 1231716-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [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
• 英文别名: [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
• CAS: 1231716-73-6
• 化学式: C₇₈H₅₂O₂
• 分子量: 1021.27
• InChiKey: PLMVYBGQQMZICK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  80
• 可旋转键数：
  2
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  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

文献信息

• Macrocyclic Amphiphiles with 1,8-Anthrylene Fluorophores: Synthesis and Attempts toward Two-Dimensional Organization
  作者：Patrick Kissel、Jeroen van Heijst、Raoul Enning、Andreas Stemmer、A. Dieter Schlüter、Junji Sakamoto

  DOI：10.1021/ol100877g

  日期：2010.6.18

  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.