4-[2-[3-(2,5,8,11,18,21,24,27-Octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine | 960245-62-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[2-[3-(2,5,8,11,18,21,24,27-Octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
• 英文别名: 4-[2-[3-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
• CAS: 960245-62-9
• 化学式: C₄₅H₄₄N₂O₉
• 分子量: 756.852
• InChiKey: BKJFEMKYHCJAHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  56
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-[2-[3-(2,5,8,11,18,21,24,27-Octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine 、 dibenzylammonium trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  A Highly Efficient Approach to the Self-Assembly of Hexagonal Cavity-Cored Tris[2]pseudorotaxanes from Several Components via Multiple Noncovalent Interactions

  摘要：

  A method of incorporating both metal-ligand and crown ether-dialkylammonium self-assembly techniques in the efficient synthesis of metallacyclic tris[2]pseudorotaxanes is described. These multifunctional supramolecules can be prepared by the stepwise or one-pot assembly of nine separate components on account of the orthogonality of the two noncovalent assembly strategies employed. This methodology demonstrates the power of orthogonal self-assembly and may be expanded beyond the use of two recognition motifs in hopes of mimicking the complex multifunctionality of biological systems.

  DOI：

  10.1021/ja073744m
• 作为产物：
  描述：

  4-chloromethylenedibenzo-24-crown-8 ether 、 3,5-bis(pyridin-4-ylethynyl)phenol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以55%的产率得到4-[2-[3-(2,5,8,11,18,21,24,27-Octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
  参考文献：
  名称：

  A Highly Efficient Approach to the Self-Assembly of Hexagonal Cavity-Cored Tris[2]pseudorotaxanes from Several Components via Multiple Noncovalent Interactions

  摘要：

  A method of incorporating both metal-ligand and crown ether-dialkylammonium self-assembly techniques in the efficient synthesis of metallacyclic tris[2]pseudorotaxanes is described. These multifunctional supramolecules can be prepared by the stepwise or one-pot assembly of nine separate components on account of the orthogonality of the two noncovalent assembly strategies employed. This methodology demonstrates the power of orthogonal self-assembly and may be expanded beyond the use of two recognition motifs in hopes of mimicking the complex multifunctionality of biological systems.

  DOI：

  10.1021/ja073744m

文献信息

• A Highly Efficient Approach to the Self-Assembly of Hexagonal Cavity-Cored Tris[2]pseudorotaxanes from Several Components via Multiple Noncovalent Interactions
  作者：Hai-Bo Yang、Koushik Ghosh、Brian H. Northrop、Yao-Rong Zheng、Matthew M. Lyndon、David C. Muddiman、Peter J. Stang

  DOI：10.1021/ja073744m

  日期：2007.11.1

  A method of incorporating both metal-ligand and crown ether-dialkylammonium self-assembly techniques in the efficient synthesis of metallacyclic tris[2]pseudorotaxanes is described. These multifunctional supramolecules can be prepared by the stepwise or one-pot assembly of nine separate components on account of the orthogonality of the two noncovalent assembly strategies employed. This methodology demonstrates the power of orthogonal self-assembly and may be expanded beyond the use of two recognition motifs in hopes of mimicking the complex multifunctionality of biological systems.