[6-(2-{2-[2-(6-Dodecyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl)-acetoxy]-ethoxy}-ethoxycarbonylmethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl]-acetic acid benzyl ester | 860615-21-0

• 英文名称: [6-(2-{2-[2-(6-Dodecyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl)-acetoxy]-ethoxy}-ethoxycarbonylmethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl]-acetic acid benzyl ester
• 英文别名: 2-[2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetyl]oxyethoxy]ethyl 2-[1,3,5,7-tetraoxo-2-(2-oxo-2-phenylmethoxyethyl)pyrrolo[3,4-f]isoindol-6-yl]acetate
• CAS: 860615-21-0
• 化学式: C₄₉H₅₀N₄O₁₅
• 分子量: 934.954
• InChiKey: TZJZTVQXJNJIPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  68.0
• 可旋转键数：
  25.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  244.41
• 氢给体数：
  0.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  [6-(2-{2-[2-(6-Dodecyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl)-acetoxy]-ethoxy}-ethoxycarbonylmethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl]-acetic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 氯仿 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 反应 5.0h， 以95%的产率得到[6-(2-{2-[2-(6-Dodecyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl)-acetoxy]-ethoxy}-ethoxycarbonylmethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl]-acetic acid
  参考文献：
  名称：

  Self-assembly of a novel series of hetero-duplexes driven by donor–acceptor interaction

  摘要：

  The self-assembly of a novel series of donor-acceptor interaction-driven artificial hetero-duplexes in organic media has been described. Four linear compounds 1a-1d, bearing two to five electron rich 1,5-dioxynaphthalene units connected by the tetra(ethylene glycol) linker, respectively, have been prepared and used as donors, while eight compounds 2a-2d, 13-16, bearing one to four electron deficient pyromellitic diimide, 1,4,5,8-naphthalene-tetracarboxydiimide, or perylene-3,4,9,10-tetracarboxydiimide units, respectively, have been used as acceptors. The structure of the hetero-duplexes has been characterized by the H-1 NMR, UV-vis spectroscopy and vapor pressure osmometry. It is revealed that the binding stability of the duplexes vary greatly, depending on the length and structure of the monomers and also the solvent, and hetero-duplex 1d(.)2d displays a maximum association constant of ca. 1.0 x 10(4) m(-1) in chloroform. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.039
• 作为产物：
  描述：

  (6-Benzyloxycarbonylmethyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl)-acetic acid 在 4-二甲氨基吡啶 、 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 氯仿 、 苯 为溶剂， 反应 30.0h， 生成 [6-(2-{2-[2-(6-Dodecyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl)-acetoxy]-ethoxy}-ethoxycarbonylmethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]isoindol-2-yl]-acetic acid benzyl ester
  参考文献：
  名称：

  Self-assembly of a novel series of hetero-duplexes driven by donor–acceptor interaction

  摘要：

  The self-assembly of a novel series of donor-acceptor interaction-driven artificial hetero-duplexes in organic media has been described. Four linear compounds 1a-1d, bearing two to five electron rich 1,5-dioxynaphthalene units connected by the tetra(ethylene glycol) linker, respectively, have been prepared and used as donors, while eight compounds 2a-2d, 13-16, bearing one to four electron deficient pyromellitic diimide, 1,4,5,8-naphthalene-tetracarboxydiimide, or perylene-3,4,9,10-tetracarboxydiimide units, respectively, have been used as acceptors. The structure of the hetero-duplexes has been characterized by the H-1 NMR, UV-vis spectroscopy and vapor pressure osmometry. It is revealed that the binding stability of the duplexes vary greatly, depending on the length and structure of the monomers and also the solvent, and hetero-duplex 1d(.)2d displays a maximum association constant of ca. 1.0 x 10(4) m(-1) in chloroform. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.039