5,8,16,19,26,29-Hexazaoctacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaene-6,7,17,18,27,28-hexone | 1313240-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5,8,16,19,26,29-Hexazaoctacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaene-6,7,17,18,27,28-hexone
• CAS: 1313240-81-1
• 化学式: C₂₆H₁₄N₆O₆
• 分子量: 506.434
• InChiKey: QQUPJPUTYJYWTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  175
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,8,16,19,26,29-Hexazaoctacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaene-6,7,17,18,27,28-hexone 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以82%的产率得到
  参考文献：
  名称：

  Stepwise Motion in a Multivalent [2](3)Catenane

  摘要：

  The motions of biomolecular machines are usually multistep processes, and are involved in a series of conformational changes. In this paper, a novel triply interlocked [2] (3)catenane composed of a tris(crown ether) host eTC and a circular ditopic guest with three dibenzyl ammonium (DBA) sites and three N-methyltriazolium (MTA) sites was reported. Due to the multivalency nature of the catenane, the acid base triggered motion was performed by a stepwise manner. The coconformations of the four related stable states have been directly identified and quantified which confirmed the multistep process. In order to quantify the dynamics with environmental acidity changes, the values of the three levels of dissociation constant pK(a) have been determined. The special interlocked topology of the [2](3)catenane also endows the motion of each crown ether ring in the host with unexpected selectivity for the MTA sites. This study provides clues to comprehend the underlying motion mechanism of intricate biological molecular machines, and further design artificial molecular machine with excellent mechanochemistry properties.

  DOI：

  10.1021/jacs.5b05758
• 作为产物：
  描述：

  三蝶烯 在 盐酸 、 tin(II) chloride dihdyrate 、 水 、 硝酸 作用下， 以 乙醇 、 水 为溶剂， 反应 48.0h， 生成 5,8,16,19,26,29-Hexazaoctacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaene-6,7,17,18,27,28-hexone
  参考文献：
  名称：

  Two-Step Synthesis of Hexaammonium Triptycene: An Air-Stable Building Block for Condensation Reactions to Extended Triptycene Derivatives

  摘要：

  A simple two-step synthesis of an air-stable hexaammoniumtriptycene is introduced, which can be used for a variety of transformations by condensation reactions, e.g., to benzimidazole, benzotriazole, and quinoxaline derivatives in high yields.

  DOI：

  10.1021/jo200843v

文献信息

• Stepwise Motion in a Multivalent [2](3)Catenane
  作者：Zheng Meng、Ying Han、Li-Na Wang、Jun-Feng Xiang、Sheng-Gui He、Chuan-Feng Chen

  DOI：10.1021/jacs.5b05758

  日期：2015.8.5

  The motions of biomolecular machines are usually multistep processes, and are involved in a series of conformational changes. In this paper, a novel triply interlocked [2] (3)catenane composed of a tris(crown ether) host eTC and a circular ditopic guest with three dibenzyl ammonium (DBA) sites and three N-methyltriazolium (MTA) sites was reported. Due to the multivalency nature of the catenane, the acid base triggered motion was performed by a stepwise manner. The coconformations of the four related stable states have been directly identified and quantified which confirmed the multistep process. In order to quantify the dynamics with environmental acidity changes, the values of the three levels of dissociation constant pK(a) have been determined. The special interlocked topology of the [2](3)catenane also endows the motion of each crown ether ring in the host with unexpected selectivity for the MTA sites. This study provides clues to comprehend the underlying motion mechanism of intricate biological molecular machines, and further design artificial molecular machine with excellent mechanochemistry properties.
• Two-Step Synthesis of Hexaammonium Triptycene: An Air-Stable Building Block for Condensation Reactions to Extended Triptycene Derivatives
  作者：Michael Mastalerz、Stefanie Sieste、Mila Cenić、Iris M. Oppel

  DOI：10.1021/jo200843v

  日期：2011.8.5

  A simple two-step synthesis of an air-stable hexaammoniumtriptycene is introduced, which can be used for a variety of transformations by condensation reactions, e.g., to benzimidazole, benzotriazole, and quinoxaline derivatives in high yields.