17,20,23,26,29,32,52,55,58,61,64,67-Dodecaoxa-3,7,11,38,42,46-hexazatridecacyclo[66.2.2.22,5.29,12.213,16.233,36.237,40.244,47.248,51.04,45.06,43.08,41.010,39]hexaoctaconta-1(71),2,4,6(43),7,9,11,13(82),14,16(81),33,35,37,39,41,44,46,48,50,68(72),69,73,75,77,79,83,85-heptacosaene | 871333-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 17,20,23,26,29,32,52,55,58,61,64,67-Dodecaoxa-3,7,11,38,42,46-hexazatridecacyclo[66.2.2.22,5.29,12.213,16.233,36.237,40.244,47.248,51.04,45.06,43.08,41.010,39]hexaoctaconta-1(71),2,4,6(43),7,9,11,13(82),14,16(81),33,35,37,39,41,44,46,48,50,68(72),69,73,75,77,79,83,85-heptacosaene
• 英文别名: 17,20,23,26,29,32,52,55,58,61,64,67-dodecaoxa-3,7,11,38,42,46-hexazatridecacyclo[66.2.2.22,5.29,12.213,16.233,36.237,40.244,47.248,51.04,45.06,43.08,41.010,39]hexaoctaconta-1(71),2,4,6(43),7,9,11,13(82),14,16(81),33,35,37,39,41,44,46,48,50,68(72),69,73,75,77,79,83,85-heptacosaene
• CAS: 871333-66-3
• 化学式: C₆₈H₆₄N₆O₁₂
• 分子量: 1157.29
• InChiKey: WBJGLOUZNHESDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  86
• 可旋转键数：
  0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  188
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  17,20,23,26,29,32,52,55,58,61,64,67-Dodecaoxa-3,7,11,38,42,46-hexazatridecacyclo[66.2.2.22,5.29,12.213,16.233,36.237,40.244,47.248,51.04,45.06,43.08,41.010,39]hexaoctaconta-1(71),2,4,6(43),7,9,11,13(82),14,16(81),33,35,37,39,41,44,46,48,50,68(72),69,73,75,77,79,83,85-heptacosaene 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 3,8-bis(5-(4'-(2-(2-(2-(allyloxy)ethoxy)ethoxy)ethoxy)-2,5-diethyl-[1,1'-biphenyl]-4-yl)pyridin-2-yl)-4,7-phenanthroline 以 二氯甲烷 、 乙腈 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Cyclic [2]Pseudorotaxane Tetramers Consisting of Two Rigid Rods Threaded through Two Bis-Macrocycles: Copper(I)-Templated Synthesis and X-ray Structure Studies

  摘要：

  Variously substituted coordinating rigid rods have been synthesized which incorporate a central 4,7-phenanthroline nucleus attached to two 2-pyridyl groups via its 3 and 8 positions, so as to yield bis-bidentate chelates, the two-coordinating axes of the chelates being parallel to one another. Regardless of the nature of the substituents borne by the rods, the copper(I)-induced threading reaction of two such rods through the rings of two bis-macrocycles affords in a quantitative yield the 4-copper(I) threaded assembly. The [2]pseudorotaxane tetramers thus obtained have been fully characterized in solution and, for one of them, an X-ray structure could be obtained, confirming the threaded nature of the complex and providing important structural information.

  DOI：

  10.1021/ja801924y
• 作为产物：
  描述：

  6,9,12,15,18,21-Hexaoxa-35,38-diazahexacyclo[24.8.4.22,5.222,25.029,37.032,36]dotetraconta-1(35),2(42),3,5(41),22(40),23,25(39),26(38),27,29(37),32(36),33-dodecaene-30,31-dione 在 ammonium acetate 作用下， 反应 2.0h， 以80%的产率得到17,20,23,26,29,32,52,55,58,61,64,67-Dodecaoxa-3,7,11,38,42,46-hexazatridecacyclo[66.2.2.22,5.29,12.213,16.233,36.237,40.244,47.248,51.04,45.06,43.08,41.010,39]hexaoctaconta-1(71),2,4,6(43),7,9,11,13(82),14,16(81),33,35,37,39,41,44,46,48,50,68(72),69,73,75,77,79,83,85-heptacosaene
  参考文献：
  名称：

  A catenane consisting of a large ring threaded through both cyclic units of a handcuff-like compound

  摘要：

  通过铜（I）的模板效应，制备出了一种围绕双大环单元构建的新型卡替萘烷；通过双闭环偏析反应，得到了贯穿双大环两个环的中心环。

  DOI：

  10.1039/b509745b

文献信息

• Copper(i)-induced threading of two bis-macrocycles on two rods: a cyclic [4]rotaxane
  作者：Jean-Paul Collin、Julien Frey、Val?rie Heitz、Efstathia Sakellariou、Jean-Pierre Sauvage、Christian Tock

  DOI：10.1039/b601703g

  日期：——

  A cyclic pseudo-rotaxane tetramer has been synthesised quantitatively at room temperature by threading two two-coordination site rods through two bis-macrocycles in the presence of copper(I) as a template.

  以铜（I）为模板，通过将两个双配位点棒穿过两个双大环，在室温下定量合成了环状假轮烷四聚体。
• Synthesis of a Bis-macrocycle Containing Two Back-to-Back Rigidly Connected 1,10-Phenanthroline Units as a Central Core and its Incorporation in a Handcuff-Like Catenane
  作者：Julien Frey、Tomáš Kraus、Valérie Heitz、Jean-Pierre Sauvage

  DOI：10.1002/chem.200700671

  日期：2007.9.17

  performing a double ring-closing metathesis reaction. This final cyclisation reaction is high yielding and affords the desired catenane consisting of a bis-macrocycle of which the two cyclic units are threaded by a large ring. The compound has been fully characterised by classical techniques. Electronic spectroscopy and electrochemical measurements suggest that the two copper complex subunits do not interact

  制备了包含两个背对背连接的1,10-菲咯啉螯合物的双宏环。合成策略涉及制备由1，10-菲咯啉-5，6-二酮片段并入30元环组成的单环前体。这种重要的中间体是通过两种不同的途径制备的，两种策略均依赖于使用缩酮作为1,2-二酮保护基。在还原剂（Na（2）S（2）O（4））存在下，两个大环二酮分子与两个当量的氨（过量使用）之间的四组分缩合反应导致所需的二环产量高。最直接的合成路线允许从1,10-菲咯啉分七个步骤制备双宏环，总收率为14％。使用现成的“ 可以定量获得双螺纹物质，其中双大环的每个环都被“分子串”穿过。这些片段带有末端烯丙基基团，其用于通过进行双闭环易位反应来制备最终的链烷。该最终的环化反应是高产率的，并提供所需的由双大环组成的链烷烃，该双大环的两个环单元被大环连接。该化合物已通过经典技术充分表征。电子光谱和电化学测量表明，尽管两个金属中心之间的桥联配体具有芳族性质，但两个铜配合物亚基
• Templated Synthesis of Cyclic [4]Rotaxanes Consisting of Two Stiff Rods Threaded through Two Bis-macrocycles with a Large and Rigid Central Plate as Spacer
  作者：Jean-Paul Collin、Fabien Durola、Julien Frey、Valérie Heitz、Felipe Reviriego、Jean-Pierre Sauvage、Yann Trolez、Kari Rissanen

  DOI：10.1021/ja101759w

  日期：2010.5.19

  Two related cyclic [4]rotaxanes consisting of double macrocycles and rigid rods incorporating two bidentate chelates have each been prepared in high yield. The first step is a multigathering and threading reaction driven by coordination of two different bidentate chelates (part of either the rings or the rods) to each copper(I) center so as to afford the desired precursor. In both cases, the assembly

  两种相关的环状 [4] 轮烷由双大环和包含两个双齿螯合物的刚性棒组成，每个都以高产率制备。第一步是通过将两种不同的双齿螯合物（环或杆的一部分）与每个铜 (I) 中心配位而驱动的多重聚集和穿线反应，以提供所需的前体。在这两种情况下，组装步骤都是在非常温和的条件下完成的，并且是定量的。第二个关键反应是基于点击化学的塞子连接反应。即使四重塞塞反应不是定量的，它的产率也比较高（60%和95%），而且铜驱动的组装过程是在室温下进行的，没有任何腐蚀性试剂。最终获得的铜络合 [4] 轮烷包含两个大致平行的芳族板，位于每个双大环的中心。在主客体特性方面最有希望的情况下，板是四芳基系列的锌 (II) 卟啉。这些化合物已通过各种光谱技术（(1) H NMR、质谱和电子吸收光谱）进行了充分表征。出乎意料的是，铜络合的卟啉 [4] 轮烷可以结晶为其 4PF(6)(-) 盐，以提供 X 射线质量的晶体。获得的结构与