1,4-Bis[3-(2,9-di(2,4,6-trimethylphenyl)-[1,10]phenanthrolinyl)]butadiyne

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1,4-Bis[3-(2,9-di(2,4,6-trimethylphenyl)-[1,10]phenanthrolinyl)]butadiyne
• 英文别名: 3-[4-[2,9-Bis(2,4,6-trimethylphenyl)-1,10-phenanthrolin-3-yl]buta-1,3-diynyl]-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline
• 化学式: C₆₄H₅₄N₄
• 分子量: 879.16
• InChiKey: IUZZDOVUEHIABK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  68
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-Bis[3-(2,9-di(2,4,6-trimethylphenyl)-[1,10]phenanthrolinyl)]butadiyne 、 3-[2-[4-[2-[2,9-bis(2,6-dimethoxyphenyl)-1,10-phenanthrolin-3-yl]ethynyl]-2,5-bis(decyloxy)-phenyl]ethynyl]-2,9-bis(2,6-dimethoxyphenyl)[1,10]phenanthroline 、 4′-[(4-[1,10]phenanthrolin-3-ylethynyl)phenyl][2,2':6′,2'']terpyridine 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 zinc trifluoromethanesulfonate 以 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  From 2-Fold Completive to Integrative Self-Sorting: A Five-Component Supramolecular Trapezoid

  摘要：

  The amalgamation of two incomplete self-sorting processes into a process that makes quantitative use of all members of the library is described by 2-fold completive self-sorting. Toward this goal, individual metal-ligand binding scenarios were optimized for high thermodynamic stability and best selectivity, by screening a variety of factors, such as steric and electronic effects, pi-pi interactions, and metal-ion specifics. Using optimized, heteroleptic metal-ligand binding motifs, a library of four different ligands (1, 2, 3, 4) and two different metal ions (Zn2+, Cu+) was set up to assess 2-fold completive self-sorting. Out of 20 different combinations, the self-sorting library ended up with only two metal-ligand complexes in basically quantitative yield. To demonstrate the value of 2-fold completive self-sorting for the formation of nanostructures, the optimized, highly selective binding motifs were implemented into three polyfunctional ligands. Their integrative self-sorting in the presence of Zn2+ and Cu+ led to the clean formation of the supramolecular trapezoid T, a simple but still unknown supramolecular architecture. The dynamic trapezoid T consists of three different ligands with four different donor-acceptor interactions. Its structure was established by H-1 NMR spectroscopy, electrospray ionization mass spectroscopy, and differential pulse voltammetry (DPV) and by exclusion of alternative structures.

  DOI：

  10.1021/ja907185k
• 作为产物：
  描述：

  3-ethynyl-2,9-dimesityl-1,10-phenanthroline 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 氧气 、 三乙胺 作用下， 以 苯 为溶剂， 反应 16.0h， 以51%的产率得到1,4-Bis[3-(2,9-di(2,4,6-trimethylphenyl)-[1,10]phenanthrolinyl)]butadiyne
  参考文献：
  名称：

  Synthesis of Soluble, Linear Bisphenanthrolines for the Construction of Heteroleptic NanoGrids and Nanoboxes

  摘要：

  描述了几种新的可溶性双联苯醇（bisphenanthrolines）的制备过程，这些化合物是基于杂配位铜(I)络合物的各种超分子结构的重要构建块。

  DOI：

  10.1055/s-2001-16093