3-(5-truxenyl)propyl 4-formylbenzoate | 898837-26-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 3-(5-truxenyl)propyl 4-formylbenzoate
• 英文别名: 3-(9-Heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl)propyl 4-formylbenzoate
• CAS: 898837-26-8
• 化学式: C₃₈H₂₈O₃
• 分子量: 532.639
• InChiKey: AWNXETSCNGPROG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(5-truxenyl)propyl 4-formylbenzoate 、 肌氨酸 、 足球烯 以 氯苯 为溶剂， 以43%的产率得到N-methyl-2'-(4-((3-(5-truxenyl)propyl)oxycarbonyl)phenyl)pyrrolidino[3',4';1,2][60]fullerene
  参考文献：
  名称：

  Molecular Panels for Energy Transduction in C₆₀-Based Conjugates

  摘要：

  Light-harvesting C-60-based dyads endowed with a truxene fluorophore unit have been synthesized. Their photophysical studies in solution reveal a singlet-singlet energy transfer deactivation mechanism that confirms the actuation of the latter as an efficient molecular panel for light absorption and energy transduction. Those processes strongly depend on the nature of the linker connecting both chromophores, such as C-60 and truxene, owing to the overlapping degree between their respective orbitals.

  DOI：

  10.1021/ol060515g
• 作为产物：
  描述：

  三聚茚 在 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 正丁基锂 、 聚合甲醛 、 对甲苯磺酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 1,2-二氯乙烷 为溶剂， 反应 32.0h， 生成 3-(5-truxenyl)propyl 4-formylbenzoate
  参考文献：
  名称：

  Molecular Panels for Energy Transduction in C₆₀-Based Conjugates

  摘要：

  Light-harvesting C-60-based dyads endowed with a truxene fluorophore unit have been synthesized. Their photophysical studies in solution reveal a singlet-singlet energy transfer deactivation mechanism that confirms the actuation of the latter as an efficient molecular panel for light absorption and energy transduction. Those processes strongly depend on the nature of the linker connecting both chromophores, such as C-60 and truxene, owing to the overlapping degree between their respective orbitals.

  DOI：

  10.1021/ol060515g