N-[(E,Z)-1,3-benzothiazol-2-ylmethylidene]-4-(heptadecafluoroctyl)aniline | 1402418-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-[(E,Z)-1,3-benzothiazol-2-ylmethylidene]-4-(heptadecafluoroctyl)aniline
• 英文别名: 1-(1,3-benzothiazol-2-yl)-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]methanimine
• CAS: 1402418-39-6
• 化学式: C₂₂H₉F₁₇N₂S
• 分子量: 656.366
• InChiKey: JIFHODHVPGNHOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  苯并噻唑-2-甲醛 、 4-全氟辛基苯胺 在 对甲苯磺酸 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 10.0h， 以90%的产率得到N-[(E,Z)-1,3-benzothiazol-2-ylmethylidene]-4-(heptadecafluoroctyl)aniline
  参考文献：
  名称：

  Synthesis, materials characterization and opto(electrical) properties of unsymmetrical azomethines with benzothiazole core

  摘要：

  Optical (UV-vis and photoluminescence) properties of two soluble organic molecules based on azomethines with benzothiazole core (BTA1 and BTA2) were reported. The structures of both compounds are characterized by means FTIR, H-1 NMR, and C-13 NMR spectroscopy and elemental analysis; the results show an agreement with the proposed structure. The investigated compounds emitted blue light. Influence of excitation wavelength and concentration on maximum and intensity of emission of BTA1 and BTA2 was found. Electrochemical properties of the compounds were studied by differential pulse voltammetry. Introduction of fluorine moieties (BTA1) resulted in lower energy band gap (E-g) of approximately similar to 0.5 eV, whereas BTA2 showed E-g of similar to 2.8 eV. The devices comprised of BTA1 with P3HT:PCBM (1:1:1) showed an open circuit voltage (V-OC) of 0.40 V, a short circuit current (J(SC)) of 1.19 mA/cm(2), and a fill factor (FF) of 0.23, giving a power-conversion efficiency (PCE) of 0.10% under AM1.5G irradiation (100 mW/cm(2)). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.06.054