1-[[2-[2-[[3-[[2-[[2,6-bis[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-4-methylphenoxy]carbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]-5-methyl-2-[methyl-[2-(methylamino)ethyl]carbamoyl]oxyphenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-3-[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-5-methylphenyl]methoxy]-N-(pyren-1-ylmethyl)methanimidic acid | 633314-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-[[2-[2-[[3-[[2-[[2,6-bis[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-4-methylphenoxy]carbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]-5-methyl-2-[methyl-[2-(methylamino)ethyl]carbamoyl]oxyphenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-3-[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-5-methylphenyl]methoxy]-N-(pyren-1-ylmethyl)methanimidic acid
• CAS: 633314-31-5
• 化学式: C₁₁₆H₁₀₆N₁₀O₁₈
• 分子量: 1928.17
• InChiKey: BYTWEQUCEKMMTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.3
• 重原子数：
  144
• 可旋转键数：
  41
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  327
• 氢给体数：
  5
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  1-[[2-[2-[[3-[[2-[[2,6-bis[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-4-methylphenoxy]carbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]-5-methyl-2-[methyl-[2-(methylamino)ethyl]carbamoyl]oxyphenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-3-[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-5-methylphenyl]methoxy]-N-(pyren-1-ylmethyl)methanimidic acid 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 芘-1-基甲胺
  参考文献：
  名称：

  自焚的树枝状聚合物。

  摘要：

  DOI：

  10.1002/anie.200351962
• 作为产物：
  描述：

  1-[[2-[2-[[3-[[2-[[2,6-bis[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-4-methylphenoxy]carbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]-2-[2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-5-methylphenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-3-[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-5-methylphenyl]methoxy]-N-(pyren-1-ylmethyl)methanimidic acid 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 1-[[2-[2-[[3-[[2-[[2,6-bis[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-4-methylphenoxy]carbonyl-methylamino]ethyl-methylcarbamoyl]oxymethyl]-5-methyl-2-[methyl-[2-(methylamino)ethyl]carbamoyl]oxyphenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-3-[[C-hydroxy-N-(pyren-1-ylmethyl)carbonimidoyl]oxymethyl]-5-methylphenyl]methoxy]-N-(pyren-1-ylmethyl)methanimidic acid
  参考文献：
  名称：

  自焚的树枝状聚合物。

  摘要：

  DOI：

  10.1002/anie.200351962

文献信息

• Self-Immolative Dendrimers
  作者：Roey J. Amir、Neta Pessah、Marina Shamis、Doron Shabat

  DOI：10.1002/anie.200351962

  日期：2003.9.29