4-((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methoxy)-4-oxobutanoic acid | 1233005-56-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4-((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methoxy)-4-oxobutanoic acid
• CAS: 1233005-56-5
• 化学式: C₂₅H₁₈O₄S₄
• 分子量: 510.68
• InChiKey: RVRKOTXVHIGSRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methoxy)-4-oxobutanoic acid 、 (S)-2-amino-N1,N5-didodecylpentanediamide 在 1-羟基苯并三唑 、 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， 以77%的产率得到
  参考文献：
  名称：

  A New ex-TTF-Based Organogelator: Formation of Organogels and Tuning with Fullerene

  摘要：

  A new ex-TTF-based organogelator with l-glutamide-derived lipid unit (compound 1) was synthesized and characterized. The resulting transparent organogels can be obtained with several organic solvents such as toluene, DMSO, and ethanol. It is interesting that its gelation ability can be further enhanced by addition of C-60. The H-1 NMR and absorption spectral studies indicate that the intermolecular interaction between the ex-TTF unit in 1 and C-60 may be responsible for this phenomenon. Further studies imply that the assembly structures in the gel phases in the absence and presence of C-60 may be different. Additionally, organogels can also be prepared with compound 1 and PCBM, and the corresponding xerogel was used to modify ITO electrode. A stable and rapid photocurrent was generated after exposure of the modified ITO electrode to light. This may provide an alternative way for photocurrent generation with high energy conversion efficiency.

  DOI：

  10.1021/la101193z
• 作为产物：
  描述：

  丁二酸酐 、 (9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methanol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-((9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methoxy)-4-oxobutanoic acid
  参考文献：
  名称：

  A New ex-TTF-Based Organogelator: Formation of Organogels and Tuning with Fullerene

  摘要：

  A new ex-TTF-based organogelator with l-glutamide-derived lipid unit (compound 1) was synthesized and characterized. The resulting transparent organogels can be obtained with several organic solvents such as toluene, DMSO, and ethanol. It is interesting that its gelation ability can be further enhanced by addition of C-60. The H-1 NMR and absorption spectral studies indicate that the intermolecular interaction between the ex-TTF unit in 1 and C-60 may be responsible for this phenomenon. Further studies imply that the assembly structures in the gel phases in the absence and presence of C-60 may be different. Additionally, organogels can also be prepared with compound 1 and PCBM, and the corresponding xerogel was used to modify ITO electrode. A stable and rapid photocurrent was generated after exposure of the modified ITO electrode to light. This may provide an alternative way for photocurrent generation with high energy conversion efficiency.

  DOI：

  10.1021/la101193z