1,3-diimino-5,6-(1,4,7,10,13,16-hexaoxahexadecamethylene)-1,3-dihydroisoindole | 125541-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 1,3-diimino-5,6-(1,4,7,10,13,16-hexaoxahexadecamethylene)-1,3-dihydroisoindole
• CAS: 125541-32-4
• 化学式: C₁₈H₂₅N₃O₆
• 分子量: 379.413
• InChiKey: SCFZJOKTLGICAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.78
• 重原子数：
  27.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  115.11
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1,3-diimino-5,6-(1,4,7,10,13,16-hexaoxahexadecamethylene)-1,3-dihydroisoindole 以 N,N-二甲基乙醇胺 为溶剂， 反应 44.0h， 以90 mg的产率得到
  参考文献：
  名称：

  Photochemical Charge Separation in Supramolecular Phthalocyanine−Multifullerene Conjugates Assembled by Crown Ether-Alkyl Ammonium Cation Interactions

  摘要：

  Self-assembled phthalocyanine multifullerene donor acceptor conjugates have been formed by crown ether-ammonium cation dipole-ion binding strategy to probe the photochemical charge separation. To achieve this, phthalocyanine is functionalized to possess four 18-crown-6 moieties on the macrocycle periphery, whereas fullerene is functionalized to possess an alkyl ammonium cation of short and long chain lengths. Stable donor acceptor conjugates accommodating multifullerene entities have been obtained by the crown ether-ammonium cation inclusion complexation. From the efficient fluorescence quenching of the zinc phthalocyanine by the bound fullerene entities, the rate constants of charge separation are evaluated to be slightly larger for closely held via shorter alkyl chain length fullerene, which are also larger compared to the earlier reported analogous zinc porphyrin multifullerene conjugate. Nanosecond transient absorption studies yielded spectral signatures corresponding to both the phthalocyanine radical cation and fullerene radical anion at the same time, providing evidence of light-induced electron transfer within the conjugates. The evaluated lifetimes of the radical ion pairs in the present phthalocyanine fullerene conjugates are found to be hundreds of nanoseconds and are much longer compared to the earlier reported conjugate of zinc porphyrin analogue, revealing higher possible usage of the generated radical ion pairs.

  DOI：

  10.1021/jp1028195
• 作为产物：
  描述：

  4,5-dicyanobenzo-18-crown-6 在 氨 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以74%的产率得到1,3-diimino-5,6-(1,4,7,10,13,16-hexaoxahexadecamethylene)-1,3-dihydroisoindole
  参考文献：
  名称：

  Sielcken; Van De Kuil; Drenth, Journal of the American Chemical Society, 1990, vol. 112, # 8, p. 3086 - 3093

  摘要：

  DOI：