17,20,23,26,29-Pentaoxa-3,11-diazatetracyclo[28.2.2.213,16.15,9]heptatriaconta-1(33),5(37),6,8,13,15,30(34),31,35-nonaene-4,10-dione | 916515-99-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 17,20,23,26,29-Pentaoxa-3,11-diazatetracyclo[28.2.2.213,16.15,9]heptatriaconta-1(33),5(37),6,8,13,15,30(34),31,35-nonaene-4,10-dione
• CAS: 916515-99-6
• 化学式: C₃₀H₃₄N₂O₇
• 分子量: 534.609
• InChiKey: BYIHNVSGGBNATK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  39
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  17,20,23,26,29-Pentaoxa-3,11-diazatetracyclo[28.2.2.213,16.15,9]heptatriaconta-1(33),5(37),6,8,13,15,30(34),31,35-nonaene-4,10-dione 、 3-N,5-N-dibutyl-1-oxidopyridin-1-ium-3,5-dicarboxamide 以 氘代氯仿 、 氘代甲醇 为溶剂， 生成
  参考文献：
  名称：

  New switchable [2]pseudorotaxanes formed by pyridine N-oxide derivatives with diamide-based macrocycles

  摘要：

  吡啶 N-氧化物衍生物能够在溶液和固态中与二胺基大环形成稳定的[2]伪大环烷，而且它们的去螺纹/反螺纹运动很容易受到酸碱刺激的控制。

  DOI：

  10.1039/c003118f
• 作为产物：
  描述：

  四乙二醇二对甲苯磺酸酯 、 N,N'-di(4-hydroxybenzyl)isopthalamide 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以37%的产率得到17,20,23,26,29-Pentaoxa-3,11-diazatetracyclo[28.2.2.213,16.15,9]heptatriaconta-1(33),5(37),6,8,13,15,30(34),31,35-nonaene-4,10-dione
  参考文献：
  名称：

  可切换的双结合模式分子穿梭。

  摘要：

  质子化控制双结合模式大环在[2]轮烷中的位置。在中性形式下，酰胺-酰胺氢键将大环保持在二肽残基上。当线质子化时，聚醚-铵阳离子相互作用占主导地位，大环改变位置。

  DOI：

  10.1021/ol062284j

文献信息

• Construction of a functional [2]rotaxane with multilevel fluorescence responses
  作者：Yingjie Zhao、Yongjun Li、Siu-Wai Lai、Jien Yang、Chao Liu、Huibiao Liu、Chi-Ming Che、Yuliang Li

  DOI：10.1039/c1ob06151h

  日期：——

  A rotaxane incorporating three different stations and fluorescent states (output) was prepared. The movement of the macrocycle can be easily detected by fluorescence change as an output signal and the macrocycle could be easily controlled to locate on three different stations of the thread by the tuning of acid/base (input).

  制备了一种包含三个不同站点和荧光状态（输出）的旋转链。宏环的运动可以通过荧光变化作为输出信号轻松检测，并且可以通过调节酸/碱（输入）轻松控制宏环定位在线的三个不同站点上。
• Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer
  作者：James E. M. Lewis

  DOI：10.1039/c9ob00107g

  日期：——

  isophthalamide [2]catenanes of various sizes in up to 51% yield without the need for metal ions as templates or mediators of covalent bond formation. Using this strategy a bis-monodentate catenane was prepared incorporating exohedral pyridine units. Upon complexation of this ligand with AgOTf a one-dimensional coordination polymer was obtained in the solid state in which both macrocycles of the catenane are involved

  使用自模板化策略可以以高达51％的产率合成各种尺寸的间苯二甲酰胺[2]邻苯二酚，而无需金属离子作为模板或共价键形成的介质。使用这种策略，制备了带有外表面吡啶单元的双单齿链烷。该配体与AgOTf络合后，获得了固态的一维配位聚合物，其中链烷烃的两个大环都参与了与金属节点的结合，这是一个罕见的例子，其中引入了机械键进入结构骨干。
• A Dual-Response [2]Rotaxane Based on a 1,2,3-Triazole Ring as a Novel Recognition Station
  作者：Haiyan Zheng、Weidong Zhou、Jing Lv、Xiaodong Yin、Yongjun Li、Huibiao Liu、Yuliang Li

  DOI：10.1002/chem.200901841

  日期：2009.12.7

  stations when the bridge between them is shortened. Upon deprotonation of both [2]rotaxanes, the macrocycle moves towards the triazole recognition site due to the hydrogen‐bond interaction between the triazole nitrogen atoms and the amide groups in the macrocycle. Upon addition of chloride anion, the conformation of [2]rotaxane is changed because of the cooperative recognition of the chloride anion by a

  Cu I合成了两种新颖的含铵和三唑站的多级可切换[2]轮烷。催化的叠氮化物-炔烃环加成反应。在两个氢键工位之间含有C6链桥的[2]轮烷的大环对质子化形式的铵阳离子表现出很高的选择性。有趣的是，当缩短两个识别站之间的桥梁时，大环能够与两个识别站进行交互。当两种[2]轮烷烷去质子化时，由于三唑氮原子与大环中酰胺基团之间的氢键相互作用，大环向三唑识别位点移动。加入氯阴离子后，[2]轮烷的构型发生了变化，因为大环间苯二甲酰胺和三唑CH质子的氢键供体对氯阴离子的协同识别。
• Charge Transfer Chromophore-Stopped [2]Rotaxane through [2 + 2] Cycloaddition
  作者：Weidong Zhou、Jialiang Xu、Haiyan Zheng、Huibiao Liu、Yuliang Li、Daoben Zhu

  DOI：10.1021/jo8014566

  日期：2008.10.3

  Three charge-transfer chromophore-terminated [2]rotaxanes were synthesized, using a high-yield [2 + 2]cycloaddition reaction in apolar solvent at room temperature. Two solvent-driving molecular shuttles were constructed, which exhibit distinct conformations in different solvent as a result of the shuttling movement of the macrocycle.
• New switchable [2]pseudorotaxanes formed by pyridine N-oxide derivatives with diamide-based macrocycles
  作者：Mujuan Chen、Shujuan Han、Lasheng Jiang、Songgen Zhou、Fei Jiang、Zhikai Xu、Jidong Liang、Suhui Zhang

  DOI：10.1039/c003118f

  日期：——

  Pyridine N-oxide derivatives are capable of formation of stable [2]pseudorotaxanes with diamide-based macrocycles in solution and in the solid state, and their dethreading/rethreading movements can be easily controlled by acid–base stimuli.

  吡啶 N-氧化物衍生物能够在溶液和固态中与二胺基大环形成稳定的[2]伪大环烷，而且它们的去螺纹/反螺纹运动很容易受到酸碱刺激的控制。