2-(2,6'-bipyrid-6'-yl-6,7-bis-dodecyloxy)-3-(pyrid-2-yl)-quinoxaline | 1020066-40-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,6'-bipyrid-6'-yl-6,7-bis-dodecyloxy)-3-(pyrid-2-yl)-quinoxaline
• CAS: 1020066-40-3
• 化学式: C₄₇H₆₃N₅O₂
• 分子量: 730.05
• InChiKey: BASKEMRCGZNZTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.42
• 重原子数：
  54.0
• 可旋转键数：
  27.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  82.91
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4,5-bis(dodecyloxy)benzene-1,2-diamine 、 2,6'-bipyridyl-2"-pyridyl" α-diketone 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以74%的产率得到2-(2,6'-bipyrid-6'-yl-6,7-bis-dodecyloxy)-3-(pyrid-2-yl)-quinoxaline
  参考文献：
  名称：

  Synthesis and Stereochemistry of Long-Chain Quinoxaline Metallocyclophanes

  摘要：

  Condensation of 1,2-diamino-4,5-bis(n-alkoxy)arenes with an oligopyridyl-type alpha-diketone afforded a series of long-chain pyridine-quinoxaline hybrids. These were evaluated for their ability to self-assemble with tetrahedral Cu(I) and Ag(I) to form dimeric, double-decker amphiphillic complexes having a flattened metallocyclophane topology. Detailed NOESY and T-1 relaxation time experimentation showed that the configuration of the dicoppper (I) complexes corresponds to inversion (meso) symmetry, which leads to an extended molecular shape, wherein the alkoxy chains of the individual ligand components lie on opposite sides of the metallocyclophane core, as opposed to the same side. Preliminary measurements show that the disilver(I) complexes having (C12H25)-C-n and (C18H37)-C-n chains exhibit reversible melting processes and undergo two endothermic transitions each, at 189/237 and 59/80 degrees C, respectively.

  DOI：

  10.1021/jo7021839