| 170123-43-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 170123-43-0
• 化学式: C₃₅H₄₈N₃O₅
• 分子量: 590.783
• InChiKey: OMMXLUPBMTWEBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  79
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  以 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Intramolecular Photoinduced Electron Transfer from Nitroxyl Radicals

  摘要：

  Intramolecular photoinduced electron transfer was observed from a nitroxide radical to a diimide acceptor in N,N'-bis(2,2,6,6-tetramethyl-N-oxidopiperidin-4-yl)-1,4,5,8-naphthalenediimide (DTDI). Irradiation of this substrate produced a zwitterion in which the diimide monoanion, with a lifetime of >200 mu s, was detected by transient absorbance spectroscopy. Slow charge recombination was attributed to the different symmetry constraints for forward electron transfer to an n,pi* state and back electron transfer from a pi,pi* state. The restricted motion of the nitroxide group prevents efficient overlap with the ring pi system, slowing back electron transfer.

  DOI：

  10.1021/j100040a026
• 作为产物：
  描述：

  N-dodecyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-1,4,5,8-naphthalenediimide 在 间氯过氧苯甲酸 作用下， 生成
  参考文献：
  名称：

  Spin-Carrying Naphthalenediimide and Perylenediimide Derivatives

  摘要：

  制备了几种萘二酰亚胺 4 和 5 以及一系列带有 TEMPO 自由基的佩伦二酰亚胺衍生物 6–9，并对其氧化还原、电场效应晶体管（FET）和磁性质进行了研究。发现自由基化合物 4 和 6–9 表现出符合库里-魏斯模型的反铁磁相互作用，而萘二酰亚胺衍生物 5 展现出单重态-三重态的磁行为，这可以通过其晶体结构中自旋中心之间的短氧–氧距离来很好地解释。由于它们适当的还原电位和结构特征，这些自由基化合物展示了 n 型 FET 性质，迁移率在 10−5 到 10−8 cm2 V−1 s−1 之间，且通过 HMDS 表面处理观察到自由基化合物 5 和 7 的迁移率明显增加。

  DOI：

  10.1246/bcsj.20100114

文献信息

• Spin-Carrying Naphthalenediimide and Perylenediimide Derivatives
  作者：Shin’ichi Nakatsuji、Kazunori Aoki、Hiroki Akutsu、Jun-ichi Yamada、Takahiro Kojima、Jun-ichi Nishida、Yoshiro Yamashita

  DOI：10.1246/bcsj.20100114

  日期：2010.9.15

  A couple of naphthalenediimide 4 and 5 and series of perylenediimide derivatives 6–9 carrying TEMPO radical were prepared and their redox, FET, and magnetic properties were investigated. The radical compounds 4 and 6–9 were found to show antiferromagnetic interactions obeying the Curie–Weiss model, while the naphthalenediimide derivative 5 exhibited a singlet–triplet magnetic behavior and it could be well understood by the short oxygen-to-oxygen distance between the spin centers observed in its crystal structure. Owing presumably to their appropriate reduction potentials and structural motifs, exhibitions of n-type FET properties were disclosed in these radical compounds with mobilities of the order from 10−5 to 10−8 cm2 V−1 s−1 and apparent increase of mobilities was observed in the radical compounds 5 and 7 by the surface treatment with HMDS.

  制备了几种萘二酰亚胺 4 和 5 以及一系列带有 TEMPO 自由基的佩伦二酰亚胺衍生物 6–9，并对其氧化还原、电场效应晶体管（FET）和磁性质进行了研究。发现自由基化合物 4 和 6–9 表现出符合库里-魏斯模型的反铁磁相互作用，而萘二酰亚胺衍生物 5 展现出单重态-三重态的磁行为，这可以通过其晶体结构中自旋中心之间的短氧–氧距离来很好地解释。由于它们适当的还原电位和结构特征，这些自由基化合物展示了 n 型 FET 性质，迁移率在 10−5 到 10−8 cm2 V−1 s−1 之间，且通过 HMDS 表面处理观察到自由基化合物 5 和 7 的迁移率明显增加。
• Intramolecular Photoinduced Electron Transfer from Nitroxyl Radicals
  作者：Sarah Green、Marye Anne Fox

  DOI：10.1021/j100040a026

  日期：1995.10

  Intramolecular photoinduced electron transfer was observed from a nitroxide radical to a diimide acceptor in N,N'-bis(2,2,6,6-tetramethyl-N-oxidopiperidin-4-yl)-1,4,5,8-naphthalenediimide (DTDI). Irradiation of this substrate produced a zwitterion in which the diimide monoanion, with a lifetime of >200 mu s, was detected by transient absorbance spectroscopy. Slow charge recombination was attributed to the different symmetry constraints for forward electron transfer to an n,pi* state and back electron transfer from a pi,pi* state. The restricted motion of the nitroxide group prevents efficient overlap with the ring pi system, slowing back electron transfer.