2-N-[8-[[hydroxy-[9-(C-hydroxy-N-phenylcarbonimidoyl)-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]-9-oxo-10H-anthracen-1-yl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboximidic acid | 1064704-74-0

• 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-[8-[[hydroxy-[9-(C-hydroxy-N-phenylcarbonimidoyl)-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]-9-oxo-10H-anthracen-1-yl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboximidic acid
• CAS: 1064704-74-0
• 化学式: C₇₀H₆₆N₈O₉
• 分子量: 1163.34
• InChiKey: IYCTZGCBNZCKBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  87
• 可旋转键数：
  20
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  222
• 氢给体数：
  4
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  2-N-[8-[[hydroxy-[9-(C-hydroxy-N-phenylcarbonimidoyl)-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]-9,10-dioxoanthracen-1-yl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboximidic acid 在 palladium 10% on activated carbon 、 氢气 作用下， 以 溶剂黄146 为溶剂， 以95%的产率得到2-N-[8-[[hydroxy-[9-(C-hydroxy-N-phenylcarbonimidoyl)-4,7-bis(2-methylpropoxy)-1,10-phenanthrolin-2-yl]methylidene]amino]-9-oxo-10H-anthracen-1-yl]-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboximidic acid
  参考文献：
  名称：

  Folding-Induced Selective Hydrogenation of Helical 9,10-Anthraquinone Analogues

  摘要：

  The first selective catalytic hydrogenation induced by the artificial helix based on oligo(phenanthroline dicarboxamide)s containing a 9,10-anthraquinone subunit is described. Due to the steric hindrance within the helically folded oligomers, the selective reductions of the anthraquinone units were completely different from those of model substrates, which subsequently mimicked the enzyme catalysis for preventing some reactions from occurring.

  DOI：

  10.1021/ol802241h

文献信息

• Folding-Induced Selective Hydrogenation of Helical 9,10-Anthraquinone Analogues
  作者：Hai-Yu Hu、Jun-Feng Xiang、Jing Cao、Chuan-Feng Chen

  DOI：10.1021/ol802241h

  日期：2008.11.6

  The first selective catalytic hydrogenation induced by the artificial helix based on oligo(phenanthroline dicarboxamide)s containing a 9,10-anthraquinone subunit is described. Due to the steric hindrance within the helically folded oligomers, the selective reductions of the anthraquinone units were completely different from those of model substrates, which subsequently mimicked the enzyme catalysis for preventing some reactions from occurring.