{12-[(Z)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-carbamic acid tert-butyl ester | 869276-82-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: {12-[(Z)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-carbamic acid tert-butyl ester
• CAS: 869276-82-4
• 化学式: C₇₇H₈₇N₅O₉
• 分子量: 1226.57
• InChiKey: HYPKGBMLZPMZKY-OKULSNQLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.38
• 重原子数：
  91.0
• 可旋转键数：
  26.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  180.52
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  {12-[(Z)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (Z)-But-2-enedioic acid (12-amino-dodecyl)-amide (2-{4-[2,9-bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethyl)-amide
  参考文献：
  名称：

  Energy Transfer Switching in a Bistable Molecular Machine

  摘要：

  [GRAPHICS]A novel [2]rotaxane, containing pyrene and perylene bisimide as both stoppers and photoactive units, has been prepared. The shuttling of the protonated macrocycle switched the energy transfer (EN) from a pyrene moiety to a perylene moiety, which resulted in changes of fluorescence of the perylene moiety.

  DOI：

  10.1021/ol051567t
• 作为产物：
  描述：

  、 1-Boc-1,12-二氨基十二烷 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以68%的产率得到{12-[(Z)-3-(2-{4-[2,9-Bis-(2,6-diisopropyl-phenyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydro-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinolin-5-yloxy]-phenyl}-ethylcarbamoyl)-acryloylamino]-dodecyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Energy Transfer Switching in a Bistable Molecular Machine

  摘要：

  [GRAPHICS]A novel [2]rotaxane, containing pyrene and perylene bisimide as both stoppers and photoactive units, has been prepared. The shuttling of the protonated macrocycle switched the energy transfer (EN) from a pyrene moiety to a perylene moiety, which resulted in changes of fluorescence of the perylene moiety.

  DOI：

  10.1021/ol051567t