2-N-[2-[[9-[[2-[[4,7-bis(2-methylpropoxy)-9-[[(1R)-1-phenylethyl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]phenyl]carbamoyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carbonyl]amino]phenyl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboxamide | 1012370-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2-N-[2-[[9-[[2-[[4,7-bis(2-methylpropoxy)-9-[[(1R)-1-phenylethyl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]phenyl]carbamoyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carbonyl]amino]phenyl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboxamide
• CAS: 1012370-49-8
• 化学式: C₉₂H₉₄N₁₂O₁₂
• 分子量: 1559.83
• InChiKey: PDTKCFXIMPMKHX-LXXIDKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.9
• 重原子数：
  116
• 可旋转键数：
  31
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  328
• 氢给体数：
  6
• 氢受体数：
  24

反应信息

• 作为产物：
  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 、 R(+)-alpha-甲基苄胺 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84%的产率得到2-N-[2-[[9-[[2-[[4,7-bis(2-methylpropoxy)-9-[[(1R)-1-phenylethyl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]phenyl]carbamoyl]-4,7-bis(2-methylpropoxy)-1,10-phenanthroline-2-carbonyl]amino]phenyl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboxamide
  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

文献信息

• Chiral Induction in Phenanthroline-Derived Oligoamide Foldamers:  An Acid- and Base-Controllable Switch in Helical Molecular Strands
  作者：Hai-Yu Hu、Jun-Feng Xiang、Yong Yang、Chuan-Feng Chen

  DOI：10.1021/ol8001688

  日期：2008.3.1

  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.