| 1012370-54-5

• 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
• CAS: 1012370-54-5
• 化学式: C₃₆H₃₉N₅O₄
• 分子量: 605.737
• InChiKey: PTDVDPSZSOKMFH-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  45.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  128.46
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  9-{2-[(9-{2-[(4,7-Diisobutoxy-9-phenylcarbamoyl-[1,10]phenanthroline-2-carbonyl)-amino]-phenylcarbamoyl}-4,7-diisobutoxy-[1,10]phenanthroline-2-carbonyl)-amino]-phenylcarbamoyl}-4,7-diisobutoxy-[1,10]phenanthroline-2-carboxylic acid 、 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以592 mg的产率得到2-N-[2-[[hydroxy-[9-[C-hydroxy-N-[2-[[hydroxy-[9-[C-hydroxy-N-[2-[[hydroxy-[9-[C-hydroxy-N-[(1R)-1-phenylethyl]carbonimidoyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]phenyl]carbonimidoyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]phenyl]carbonimidoyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]phenyl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboximidic acid
  参考文献：
  名称：

  Chiral Induction in Phenanthroline-Derived Oligoamide Foldamers:  An Acid- and Base-Controllable Switch in Helical Molecular Strands

  摘要：

  A series of phenanthroline-derived oligoamides bearing a chiral (R)-phenethylamino end group were synthesized that displayed chiral helical induction and subsequently formed one-hand helical foldamers in solution. Moreover, an acid- and base-controllable switch in the helical molecular strands was observed, which has been demonstrated by NMR, UV-vis, and circular dichroism spectroscopy.

  DOI：

  10.1021/ol8001688
• 作为产物：
  描述：

  在 10% Pd/C 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 10.0h， 生成
  参考文献：
  名称：

  Chiral Induction in Phenanthroline-Derived Oligoamide Foldamers:  An Acid- and Base-Controllable Switch in Helical Molecular Strands

  摘要：

  A series of phenanthroline-derived oligoamides bearing a chiral (R)-phenethylamino end group were synthesized that displayed chiral helical induction and subsequently formed one-hand helical foldamers in solution. Moreover, an acid- and base-controllable switch in the helical molecular strands was observed, which has been demonstrated by NMR, UV-vis, and circular dichroism spectroscopy.

  DOI：

  10.1021/ol8001688