CBPQT(4+)4Cl(-) | 117271-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: CBPQT(4+)4Cl(-)
• 英文别名: tetracationic cyclobis(paraquat-p-phenylene) tetrachloride；cyclobis(paraquat-p-phenylene) tetrachloride；cyclophane cyclobis(paraquat-p-phenylene)；cyclobis(paraquat-p-phenylene)；BlueBox；cyclobis(paeaquat-p-phenylene) tetrachloride
• CAS: 117271-78-0
• 化学式: C₃₆H₃₂N₄*4Cl
• 分子量: 662.489
• InChiKey: JANVTDZHQJBQMD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  41.0
• 可旋转键数：
  0.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  15.52
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  CBPQT(4+)4Cl(-) 在 ammonium hexafluorophosphate 作用下， 以 甲醇 、 水 为溶剂， 以20%的产率得到cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)
  参考文献：
  名称：

  Synthesis of ExⁿBox Cyclophanes

  摘要：

  A rapid and efficient synthesis of the extended bipyridinium-based class of cyclophanes-that is, Ex(n)Box(4+) (n = 0-3), where n is the number of p-phenylene rings inserted between the pyridinium rings-is demonstrated, resulting in much higher yields of products along with a reduced output of oligomeric byproducts. Although each cyclophane can be synthesized readily without the use of a precise stoichiometric amount of template, ExBox(4+) can be prepared in 66% yield (following crystallization) using six equivalents of pyrene in a template-directed protocol. This new methodology has been employed to synthesize, in modest yield, a nearly 2.5 nm long cyclophane consisting of 12 aromatic rings.

  DOI：

  10.1021/jo401993n
• 作为产物：
  描述：

  cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) 在 四丁基氯化铵 作用下， 以 硝基甲烷 为溶剂， 反应 24.0h， 以98%的产率得到CBPQT(4+)4Cl(-)
  参考文献：
  名称：

  Working Supramolecular Machines Trapped in Glass and Mounted on a Film Surface

  摘要：

  Two surface-tethered nanomachines have been constructed at a supramolecular level by employing cylinders of the π-electron deficient tetracationic cyclophane, cyclobis(paraquat-p-phenylene) (blue), inside which polyether pistons incorporating π-electron rich dioxynaphthalene units (red and pink) can be induced to move when reductants are supplied either by chemicals or from a light source with 9-anthracenecarboxylic acid (yellow) as the photosensitizer and ethylenediaminetetraacetate (green) as a sacrificial reagent.

  DOI：

  10.1002/1521-3773(20010702)40:13<2447::aid-anie2447>3.0.co;2-p

文献信息

• Self-assembly of cyclobis(paraquat-p-phenylene)s
  作者：Kana Tanabe、Takashi Kato

  DOI：10.1039/b900140a

  日期：——

  Cyclobis(paraquat-p-phenylene)s complexed with anionic surfactants exhibit liquid-crystalline states and form pseudorotaxanes with tetrathiafulvalene in the condensed states.

  带负电的表面活性剂与环双（对草快-对亚苯基）形成的复合物呈现出液晶态，并在凝聚态中与四硫富瓦烯形成拟轮烷。
• Surfactant-mediated control of CBPQT4+–dialkoxynaphthalene complexation
  作者：Jeremie Louisy、François Delattre、Joel Lyskawa、Aurélie Malfait、Catherine E. Maclean、Léna Sambe、Ning Zhu、Graeme Cooke、Patrice Woisel

  DOI：10.1039/c1cc10571j

  日期：——

  The addition of the surfactant SDS to an aqueous solution containing 1·2 results in the disassembly of the latter via the simultaneous incorporation of 1 into a micelle and the precipitation of 2 by an anion exchange reaction.

  将表面活性剂SDS添加到含有1·2的水溶液中，导致前者的解聚，通过将1同时纳入胶束及通过阴离子交换反应析出2。
• Blurring the Lines between Host and Guest: A Chimeric Receptor Derived from Cucurbituril and Triptycene
  作者：Xiaoyong Lu、Soumen K. Samanta、Peter Y. Zavalij、Lyle Isaacs

  DOI：10.1002/anie.201803132

  日期：2018.7.2

  report the synthesis and X‐ray crystal structure of a cucurbituril–triptycene chimeric receptor (1). Host 1 binds to guests typical of CB[6]–CB[8], but also binds to larger guests such as blue box (20) and the Fujita square (22). Intriguingly, the geometries of the 1⋅20 and 1⋅22 complexes blur the lines between host and guest in that both components fulfill both roles within each complex. The fluorescence

  我们报告了葫芦脲-三蝶烯嵌合受体的合成和 X 射线晶体结构 ( 1 )。主机1绑定到典型的 CB[6]-CB[8] 来宾，但也绑定到更大的来宾，例如蓝框（20）和藤田广场（22）。有趣的是，1 * 20和1 * 22复合体的几何形状模糊了主客体之间的界限，因为这两个组件在每个复合体中都扮演着两个角色。1的荧光输出通过与吡啶鎓衍生客体形成复合物而完全淬灭。
• Host–Guest Chemistry Within Cellulose Nanocrystal Gel Receptors
  作者：Dongjie Zhang、Miguel A. Soto、Lev Lewis、Wadood Y. Hamad、Mark J. MacLachlan

  DOI：10.1002/anie.201913030

  日期：2020.3.16

  assemble into gels when mixed with a polyionic organic or inorganic salt. Here, we have used this ion-induced gelation strategy to create functional CNC gels with a rigid tetracationic macrocycle, cyclobis(paraquat-p-phenylene) (CBPQT4+ ). Addition of [CBPQT]Cl4 to CNCs causes gelation and embeds an active host inside the material. The fabricated CNC gels can reversibly absorb guest molecules from solution

  与聚离子有机或无机盐混合后，纤维素纳米晶体（CNC）自发组装成凝胶。在这里，我们已经使用这种离子诱导的凝胶化策略来创建具有刚性四阳离子大环，环双（百草枯-对亚苯基）（CBPQT4 +）的功能性CNC凝胶。在CNC控制器中添加[CBPQT] Cl4会导致胶凝并在材料内部嵌入活性主体。制成的CNC凝胶可以可逆地从溶液中吸收客体分子，然后经历分子识别过程，从而形成丰富多彩的宿主-客体复合物。这些材料已在凝胶色谱中实现（用于客体交换和分离），并作为编码2维和3维图案的元素。我们预计，该概念可能会扩展到设计一组响应性和选择性凝胶状材料，例如，
• Electrostatic Barriers in Rotaxanes and Pseudorotaxanes
  作者：Mohamad Hmadeh、Albert C. Fahrenbach、Subhadeep Basu、Ali Trabolsi、Diego Benítez、Hao Li、Anne‐Marie Albrecht‐Gary、Mourad Elhabiri、J. Fraser Stoddart

  DOI：10.1002/chem.201002933

  日期：2011.5.23

  the kinetic barriers governing the relative motions of the components in mechanically interlocked molecules is important for future applications of these compounds in molecular electronic devices. In this Full Paper, we demonstrate that bipyridinium (BIPY2+) dications fulfill the role as effective electrostatic barriers for controlling the shuttling and threading behavior for rotaxanes and pseudorotaxanes

  控制控制机械互锁分子中组分相对运动的动力学屏障的能力对于这些化合物在分子电子设备中的未来应用很重要。在此全文中，我们证明了联吡啶鎓（BIPY 2+）药物可作为有效的静电屏障来控制水环境中轮烷和假轮烷的穿梭和穿线行为。简并的[2]轮烷，由两个1,5-二氧萘（DNP）单元组成，两侧是哑铃组件中的中心BIPY 2+单元，并被环双（百草枯-对-亚苯基）（CBPQT 4+）四阳离子环烷已采用穿线接着塞制的方法合成。可变温度1 H NMR光谱显示，在343 K时，中心BIPY 2+单元上CBPQT 4+环穿梭的障碍超过17 kcal mol -1。有关BIPY 2+单元性质的更多信息作为静电屏障从相关超分子系统中收集，利用以下两种DNP单元侧翼中央联吡啶组成的两个线程2+部分或中央DNP单元侧翼由联吡啶2+部分。CBPQT 4+的线程和解线程过程通过分光光度法研究的这些化合物的环发现，BIPY 2+单