2,9-bis(4-(2-(2-(dec-9-en-1-yloxy)ethoxy)ethoxy)phenyl)-1,10-phenanthroline | 1082075-75-9

• 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: 2,9-bis(4-(2-(2-(dec-9-en-1-yloxy)ethoxy)ethoxy)phenyl)-1,10-phenanthroline
• CAS: 1082075-75-9
• 化学式: C₅₂H₆₈N₂O₆
• 分子量: 817.122
• InChiKey: XWBGYQQNJXMJTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.77
• 重原子数：
  60.0
• 可旋转键数：
  34.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.16
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2,9-bis(4-(2-(2-(dec-9-en-1-yloxy)ethoxy)ethoxy)phenyl)-1,10-phenanthroline 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 (21Z)-6,9,12,31,34,37-hexaoxa-51,54-diazahexacyclo[40.8.4.22,5.238,41.045,53.048,52]octapentaconta-1(51),2(58),3,5(57),21,38(56),39,41(55),42(54),43,45(53),46,48(52),49-tetradecaene 、
  参考文献：
  名称：

  Polypseudorotaxanes via Ring-Opening Metathesis Polymerizations of [2]Catenanes

  摘要：

  A bis-phenanthroline [2]catenane copper complex, consisting of one olefinic macrocycle and one nonolefinic macrocycle, underwent an entropy-driven ring-opening olefin metathesis polymerization (ROMP) to provide a polypseudorotaxane. The polymerization featured an average degree of polymerization of ca. 63 wherein the polymer was effectively saturated with threaded macrocycles. Removal of the copper led to near complete release of the macrocycles from the polymer backbone.

  DOI：

  10.1021/ja806122r
• 作为产物：
  描述：

  10-溴-1-癸烯 、 2-{2-[4-(9-{4-[2-(2-Hydroxy-ethoxy)-ethoxy]-phenyl}-[1,10]phenanthrolin-2-yl)-phenoxy]-ethoxy}-ethanol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 26.0h， 以56%的产率得到2,9-bis(4-(2-(2-(dec-9-en-1-yloxy)ethoxy)ethoxy)phenyl)-1,10-phenanthroline
  参考文献：
  名称：

  Polypseudorotaxanes via Ring-Opening Metathesis Polymerizations of [2]Catenanes

  摘要：

  A bis-phenanthroline [2]catenane copper complex, consisting of one olefinic macrocycle and one nonolefinic macrocycle, underwent an entropy-driven ring-opening olefin metathesis polymerization (ROMP) to provide a polypseudorotaxane. The polymerization featured an average degree of polymerization of ca. 63 wherein the polymer was effectively saturated with threaded macrocycles. Removal of the copper led to near complete release of the macrocycles from the polymer backbone.

  DOI：

  10.1021/ja806122r