| 721922-73-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 721922-73-2
• 化学式: C₅₁H₉₆O₂₁S
• 分子量: 1077.38
• InChiKey: ZSWALSAZTXYYJP-GBGBWPTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  73.0
• 可旋转键数：
  56.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  209.51
• 氢给体数：
  0.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  在 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 3-[2-[3-[3-[3-[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxy-2-[[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxymethyl]propoxy]-2-[[3-[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxy-2-[[(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]oxymethyl]propoxy]methyl]propoxy]-5-(2-pyridin-3-ylethynyl)phenyl]ethynyl]pyridine
  参考文献：
  名称：

  Anion-Directed Self-Assembly of Coordination Polymer into Tunable Secondary Structure

  摘要：

  A bent-shaped bipyridine ligand containing a dendritic aliphatic side chain has been synthesized as a ligand and complexed with silver ion through a self-assembling process. The resulting complexes were observed to self-assemble into supramolecular structures that differ significantly as a function of the counteranion size in the solid state, as confirmed by 1-D and 2-D X-ray diffraction experiments. The secondary structure of a cationic coordination chain appears to be dependent on the size of the counteranion. As the size of anion increases, the secondary structure of the coordination chain changes, from a helical chain, via a dimeric cycle, to a zigzag chain in the solid state. Interestingly, dilute solutions of the complexes exhibiting a columnar structure in polar solvents undergo spontaneous gelation and the resulting gels display a significant Cotton effect in the chromophore of the aromatic unit. These results represent a significant example that small variation in the anion size can provide a useful strategy to manipulate the secondary structure of linear chain and thereby solid-state supramolecular structure.

  DOI：

  10.1021/ja049799v
• 作为产物：
  描述：

  3-{(S)-2-[2-(2-Methoxy-ethoxy)-ethoxy]-1-methyl-ethoxy}-2-{(S)-2-[2-(2-methoxy-ethoxy)-ethoxy]-1-methyl-ethoxymethyl}-propene 在 吡啶 、 硼烷四氢呋喃络合物 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.5h， 生成
  参考文献：
  名称：

  Anion-Directed Self-Assembly of Coordination Polymer into Tunable Secondary Structure

  摘要：

  A bent-shaped bipyridine ligand containing a dendritic aliphatic side chain has been synthesized as a ligand and complexed with silver ion through a self-assembling process. The resulting complexes were observed to self-assemble into supramolecular structures that differ significantly as a function of the counteranion size in the solid state, as confirmed by 1-D and 2-D X-ray diffraction experiments. The secondary structure of a cationic coordination chain appears to be dependent on the size of the counteranion. As the size of anion increases, the secondary structure of the coordination chain changes, from a helical chain, via a dimeric cycle, to a zigzag chain in the solid state. Interestingly, dilute solutions of the complexes exhibiting a columnar structure in polar solvents undergo spontaneous gelation and the resulting gels display a significant Cotton effect in the chromophore of the aromatic unit. These results represent a significant example that small variation in the anion size can provide a useful strategy to manipulate the secondary structure of linear chain and thereby solid-state supramolecular structure.

  DOI：

  10.1021/ja049799v

文献信息

• Reversible Transformation of Helical Coils and Straight Rods in Cylindrical Assembly of Elliptical Macrocycles
  作者：Jung-Keun Kim、Eunji Lee、Min-Cheol Kim、Eunji Sim、Myongsoo Lee

  DOI：10.1021/ja907462h

  日期：2009.12.16

  We have demonstrated that, as the molecular length of elliptical macrocycle is increased, the self-assembled structure changes from spherical micelles to helical coils and finally to monolayered vesicles, in the order of decreasing interfacial curvature. Notably, the helical coils reversibly transform into straight rods upon heating while maintaining the supramolecular chirality. This structural transition

  我们已经证明，随着椭圆大环分子长度的增加，自组装结构从球形胶束变成螺旋线圈，最后变成单层囊泡，按照界面曲率减小的顺序。值得注意的是，螺旋线圈在加热时可逆地转变为直杆，同时保持超分子手性。这种结构转变伴随着椭圆大环从船形构象到更平面构象的构象变化。
• Static and Dynamic Nanosheets from Selective Assembly of Geometric Macrocycle Isomers
  作者：Yanqiu Wang、Yongju Kim、Myongsoo Lee

  DOI：10.1002/anie.201607143

  日期：2016.10.10

  stimulation by a thermal signal. Furthermore, the mixed solution of the two isomers exhibits self‐sorting behavior, generating the coexistence of the two independent self‐assembled structures, the planar sheets and the folded scrolls. The self‐sorted supramolecular objects with considerable shape and size differences are able to be readily separated, one isomer from the other.

  与在二维（2D）纳米结构的构造方面取得的重大进展相比，从静态2D薄片到动态2D薄片的合理修改仍然是一个巨大的挑战。介绍了基于蒽单元的几何大环异构体的选择性自组装形成的静态和动态片材。顺式异构体的自组装产生静态平面片，而反式异构体形成动态的轧制板，该轧制板在受到热信号刺激后可逆地展开。此外，两种异构体的混合溶液表现出自分选行为，从而产生了两个独立的自组装结构，平面片和折叠涡旋的共存。具有明显形状和大小差异的自分类超分子物体可以很容易地分离，一种异构体彼此分离。
• Guest-Driven Inflation of Self-Assembled Nanofibers through Hollow Channel Formation
  作者：Yanqiu Wang、Zhegang Huang、Yongju Kim、Ying He、Myongsoo Lee

  DOI：10.1021/ja510182x

  日期：2014.11.19

  form thin nanofibers with pyridine-functionalized aromatic cores. Notably, the nanofibers reversibly inflate into helical tubules through the formation of hollow cavities triggered by p-phenylphenol, a hydrogen-bonding guest. The reversible inflation of the nanofibers arises from the packing rearrangements in the aromatic cores from transoid dimers to cisoid macrocycles driven by the reversible hydrogen-bonding

  自组装的亮点是各种类型的非共价相互作用的可逆性，这导致构建具有可切换孔的智能纳米结构。在这里，我们报告了通过客体封装触发的中空内部通道的形成自发形成可充气纳米纤维。形成这种独特纳米纤维的分子由一个弯曲的芳香链段组成，该链段由一个间吡啶单元和一个位于其顶端的亲水树突连接。芳香链段自组装成成对的二聚体，这些二聚体相互堆叠，形成具有吡啶官能化芳香核的细纳米纤维。值得注意的是，纳米纤维通过形成由氢键客体对苯基苯酚触发的空腔，可逆地膨胀成螺旋管。
• Aqueous nanofibers with switchable chirality formed of self-assembled dumbbell-shaped rod amphiphiles
  作者：Zhegang Huang、Eunji Lee、Ho-Joong Kim、Myongsoo Lee

  DOI：10.1039/b913286d

  日期：——

  We have demonstrated that fibrillar aggregates formed from the self-assembly of a dumbbell-shaped rod amphiphile undergo a reversible chiral–non-chiral transition triggered by temperature.

  我们已经证明，哑铃形棒状两亲分子自组装形成的纤维状聚集体会经历由温度触发的可逆的手性-非手性转变。
• Spontaneous Chirality Induction in the Assembly of a Single Layer 2D Network with Switchable Pores
  作者：Bowen Shen、Chunyu Pan、Xiaopeng Feng、Jehan Kim、Mo Sun、Myongsoo Lee

  DOI：10.1002/anie.202300658

  日期：——

  Single layer chiral 2D network structures with photoswitchable internal cavities have been formed by the self-assembly of azobenzene-based tetrapod aromatic amphiphiles, with spontaneous chirality induction arising from the breaking of both the plane of symmetry and inversion symmetry. The chiral network structures can selectively catch one enantiomer from a racemic solution and then release it upon

  基于偶氮苯的四足芳香族两亲物的自组装形成了具有光可切换内腔的单层手性二维网络结构，由于对称面和反转对称性的破坏而产生自发手性感应。手性网络结构可以选择性地从外消旋溶液中捕获一种对映体，然后在紫外线照射下通过可逆的孔变形释放它。