5,5′-[2,5-bis(decyloxy)-1,4-phenylene]bis(ethyne-2,1-diyl)dipicolinaldehyde | 1312992-94-1

• 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: 5,5′-[2,5-bis(decyloxy)-1,4-phenylene]bis(ethyne-2,1-diyl)dipicolinaldehyde
• 英文别名: 5,5'-(2,5-bis(decyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)dipicolinaldehyde；5-[2-[2,5-Didecoxy-4-[2-(6-formylpyridin-3-yl)ethynyl]phenyl]ethynyl]pyridine-2-carbaldehyde；5-[2-[2,5-didecoxy-4-[2-(6-formylpyridin-3-yl)ethynyl]phenyl]ethynyl]pyridine-2-carbaldehyde
• CAS: 1312992-94-1
• 化学式: C₄₂H₅₂N₂O₄
• 分子量: 648.886
• InChiKey: YGVPPSBFJCMZMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  48
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,5′-[2,5-bis(decyloxy)-1,4-phenylene]bis(ethyne-2,1-diyl)dipicolinaldehyde 、 N,N-二甲基-对苯二胺 以 甲醇 为溶剂， 反应 3.0h， 以92%的产率得到1,4-bisdecyloxy-2,5-bis-(2-(p-N,N-dimethylaminophenyliminomethyl)pyridin-5-ylethynyl)benzene
  参考文献：
  名称：

  Metal–Ligand Exchange in a Cyclic Array: The Stepwise Advancement of Supramolecular Complexity

  摘要：

  Herein, we demonstrate how the supramolecular complexity (evaluated by the degree of self-sorting M) evolves in a chemical cycle of cascaded metallosupramolecular transformations, using abiological self-assembled entities as input signals. Specifically, the successive addition of the supramolecular self-assembled structures S1 and (T2 + S2) to the starting supramolecular two-component equilateral triangle Ti (M = 1) first induced a fusion into the three-component quadrilateral R1 (M = 6) and then to the five-component scalene triangle T3 (M = 16). Upon the addition of the supra molecular input M1 to T3, a notable self-sorting event occurred, leading to regeneration of the triangle T1 along with formation of the scalene triangle T4 (M = 25). This last step closed the cycle of the supramolecular transformations.

  DOI：

  10.1021/acs.inorgchem.6b02256
• 作为产物：
  描述：

  5-乙炔吡啶甲醛 、 1,4-二(癸基氧基)-2,5-二碘苯 在 四(三苯基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以60%的产率得到5,5′-[2,5-bis(decyloxy)-1,4-phenylene]bis(ethyne-2,1-diyl)dipicolinaldehyde
  参考文献：
  名称：

  Scaffolding a Cage-Like 3D Framework by Coordination and Constitutional Dynamic Chemistry

  摘要：

  By exploiting the supramolecular assistance of a sterically encumbered phenanthroline-Cu+ motif, we report on the self-assembly of a trigonal nanoprism, its post-self-assembly functionalization, and transformation into a cage-like 3D framework with distinct compartments.

  DOI：

  10.1021/ol201440a

文献信息

• Fully reversible three-state interconversion of metallosupramolecular architectures
  作者：Nikita Mittal、Manik Lal Saha、Michael Schmittel

  DOI：10.1039/c6cc03824g

  日期：——

  phenanthroline-Cu+-picolinaldehyde trio back and forth between homoleptic and heteroleptic coordination using the relative metal-ion to ligand ratio is the basis for an unprecedented cyclic three-state interconversion of metallacycles.

  使用相对的金属离子与配体的比例，在均配和杂配配位之间在空间上受阻的菲咯啉-Cu +-吡啶甲醛三重化合物之间可逆转换是金属环前所未有的循环三态互变的基础。