| 1133232-94-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1133232-94-6
• 化学式: C₁₃₂H₁₉₈O₆₀
• 分子量: 2744.99
• InChiKey: PIYSKXNEPXUJCU-QPTRZJKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  192.0
• 可旋转键数：
  50.0
• 环数：
  47.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  553.8
• 氢给体数：
  0.0
• 氢受体数：
  60.0

反应信息

• 作为反应物：
  描述：

  4-碘吡啶 、 在 tris(4,6-dimethyl-3-sulfanatophenyl)phosphine trisodium salt 、 caesium carbonate 、 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 反应 9.0h， 以75%的产率得到4-[2-[4-[2-[2,5-bis[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]-4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]pyridine
  参考文献：
  名称：

  针对分子电子材料的具有多功能特性的一维含金属绝缘分子线的合成

  摘要：

  我们在此报告了针对分子电子学的新材料的设计、合成和性质。通过 Ru(II) 卟啉与结构明确的绝缘桥配体的配位聚合合成了一种含过渡金属的绝缘分子线。该导线不仅表现出高线性度和刚度，而且还表现出高分子内电荷迁移率。由于配位键的独特性质，单体和聚合物状态之间的相互转换是在一氧化碳气氛或紫外线照射下实现的。结果表明，含金属绝缘分子线在分子电子学中的应用潜力巨大。

  DOI：

  10.1021/ja411665k
• 作为产物：
  描述：

  在 甲醇 、 potassium carbonate 作用下， 反应 0.5h， 以94%的产率得到
  参考文献：
  名称：

  连接轮烷聚合合成有机可溶性共轭聚轮烷

  摘要：

  已经对环糊精用于绝缘π-共轭聚合物链的用途进行了广泛的研究。然而，所得聚轮烷不表现出高且恒定的覆盖率并且通常不溶于有机溶剂。在这里，我们展示了一种合成基于全甲基化环糊精的聚轮烷的新方法，该方法涉及连接轮烷单体的聚合。该方法得到的绝缘分子线在有机溶剂中的溶解度高，具有较高的包覆率、刚性和光致发光效率。对于这些高刚性聚轮烷，观察到胆甾型液晶相，其中π共轭聚合物链穿过手性大环。

  DOI：

  10.1021/ja9074437

文献信息

• A Typical Metal-Ion-Responsive Color-Tunable Emitting Insulated π-Conjugated Polymer Film
  作者：Takuro Hosomi、Hiroshi Masai、Tetsuaki Fujihara、Yasushi Tsuji、Jun Terao

  DOI：10.1002/anie.201603160

  日期：2016.10.17

  Metal coordination to the polymer enabled easy and reversible tuning of the luminescent color without changes to the main chain skeleton. The permethylated α‐cyclodextrin (PM α‐CD)‐based insulation structure allowed the metalated polymers to demonstrate efficient emission even in the solid state, with identical spectral shapes to the dilute solutions. In addition, the coordination ability of the metal‐free

  我们报告了一个绝缘的π-共轭聚合物的合成，其中包含2,2'-联吡啶部分作为金属配位点。与聚合物的金属配位可轻松且可逆地调整发光颜色，而不会改变主链骨架。基于全甲基化的α-环糊精（PMα-CD）的绝缘结构使金属化的聚合物即使在固态下也能显示出有效的发射，其光谱形状与稀溶液相同。此外，无金属聚合物的配位能力保持在固态，从而导致响应金属离子的发光颜色发生可逆变化。预期合成的聚合物适合用于可回收的发光传感器中以区分不同的金属离子。
• Regio- and Stereoselective Synthesis of Triarylalkene-Capped Rotaxanes via Palladium-Catalyzed Tandem Sonogashira/Hydroaryl Reaction of Terminal Alkynes
  作者：Hiroshi Masai、Wakana Matsuda、Tetsuaki Fujihara、Yasushi Tsuji、Jun Terao

  DOI：10.1021/acs.joc.7b00442

  日期：2017.5.19

  synthesized via a palladium-catalyzed tandem Sonogashira/hydroaryl reaction between aryl halides and terminal alkynes bearing two permethylated α-cyclodextrins (PM α-CDs) with high regioselectivity because of the insulation effect of the PM α-CDs. Moreover, sequential Sonogashira coupling and hydroarylation reactions using different aryl substrates afforded a regio- and stereoselective trisubstituted

  三芳基烯烃封端的共轭轮烷是通过钯催化的串联式Sonogashira /氢芳基反应在芳基卤化物和带有两个高甲基选择性α-环糊精（PMα-CD）的末端炔烃之间进行的，这是由于PMα-CD的绝缘作用。而且，使用不同的芳基底物的顺序的Sonogashira偶联和加氢芳基化反应提供了作为单一产物的区域和立体选择性三取代烯烃。这类新的形成轮烷的反应可用于增加轮烷骨架的多样性，从而增加轮烷的材料功能。
• Molecular Wiring Method Based on Polymerization or Copolymerization of an Insulated π-Conjugated Monomer
  作者：Jun Terao、Kyohei Homma、Yohei Konoshima、Masateru Taniguchi、Manabu Kiguchi、Yuuki Komoto、Masayo Horikawa、Yasuhisa Naito、Tetsuaki Fujihara、Yasushi Tsuji

  DOI：10.1246/bcsj.20140082

  日期：2014.8.15

  A new type of molecular wiring method was developed based on the polymerization or copolymerization of an insulated π-conjugated monomer between nanosized electrodes.

  基于在纳米尺寸电极间绝缘的π-共轭单体的聚合或共聚反应，开发了一种新型分子接线方法。
• Synthesis of linked symmetrical [3] and [5]rotaxanes having an oligomeric phenylene ethynylene (OPE) core skeleton as a π-conjugated guest via double intramolecular self-inclusion
  作者：Susumu Tsuda、Jun Terao、Yuji Tanaka、Tomoka Maekawa、Nobuaki Kambe

  DOI：10.1016/j.tetlet.2008.12.087

  日期：2009.3

  Linked symmetrical [3] and [5] rotaxanes consisting of an oligomeric phenylene ethynylene (OPE) framework as a pi-conjugated guest moiety and lipophilic permethylated alpha-cyclodextrins (PM alpha-CDs), as macrocyclic hosts have been prepared by double intramolecular self-inclusion of an OPE guest unit carrying two PM alpha-CDs followed by capping with bulky stopper groups using click azide-alkyne Huisgen cycloaddition or Sonogashira coupling. The structures of these linked rotaxanes were determined by MALDI-TOF mass spectrum and two-dimensional NMR spectroscopy. (C) 2008 Elsevier Ltd. All rights reserved.
• Enhancement of Phosphorescence and Unimolecular Behavior in the Solid State by Perfect Insulation of Platinum–Acetylide Polymers
  作者：Hiroshi Masai、Jun Terao、Satoshi Makuta、Yasuhiro Tachibana、Tetsuaki Fujihara、Yasushi Tsuji

  DOI：10.1021/ja508636z

  日期：2014.10.22

  Controlling the thermal fluctuations and molecular environment of a phosphorescent polymer backbone is vital to enhancing its phosphorescence intensity in the solid state. Here, we demonstrate enhanced phosphorescence control through a systematic investigation of cyclodextrin-based insulated platinum-acetylide polymers with well-defined coverage areas. Modification of the coverage areas revealed two unprecedented effects of macrocyclic insulation on phosphorescence behavior. First, the insulation of particular areas suppresses the thermal relaxation processes of the triplet species because of the restriction of structural fluctuations. Cyclic insulation fixes a polymer chain and concomitantly enhances the phosphorescence intensity in both the solution and solid states. Second, complete three-dimensional insulation protects the polymer from interactions with other platinum and acetylide units, and even oxygen molecules. Notably, these polymers display identical phosphorescence behaviors in both the solution and solid states, essentially achieving "unimolecular phosphorescence."