4-(benzo[d]thiazol-2-ylthio)phthalonitrile

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(benzo[d]thiazol-2-ylthio)phthalonitrile
• 英文别名: 4-(benzo[d]thiazol-2ylthio)phthalonitrile；Benzene-1,2-dicarbonitrile, 4-(2-benzothiazolylthio)-；4-(1,3-benzothiazol-2-ylsulfanyl)benzene-1,2-dicarbonitrile
• 化学式: C₁₅H₇N₃S₂
• 分子量: 293.373
• InChiKey: KFNTTWKNNQEPTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-aminophenoxy)phthalonitrile 、 4-(benzo[d]thiazol-2-ylthio)phthalonitrile 、 zinc(II) acetate dihydrate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 戊醇 为溶剂， 反应 6.0h， 以39%的产率得到Zn(II) aminophenoxy-tris(benzothiazole) phthalocyanine
  参考文献：
  名称：

  Fabrication of efficient nonlinear optical absorber using Zn phthalocyanine-semiconductor quantum dots conjugates

  摘要：

  In this paper, we report on the synthesis of Zn(II) phthalocyanine derivatives and their conjugates with core/shell and core/shell/shell semiconductor quantum dots (SQDs). Zn(II) mono amino-carboxyethylphenoxy phthalocyanine (1), Zn(II) mono 3-carboxyphenoxy-tris(pyridin-2-yloxy) phthalocyanine (2) and Zn(II) mono aminophenoxy-tris(benzothiazole) phthalocyanine (3) were synthesized. The photophysical and optical limiting properties of the phthalocyanine (Pc) complexes and their conjugates with SQDs were investigated in dimethyl sulfoxide. The optical limiting behaviour of the Pc complexes and their conjugates were measured by the open aperture Z-scan technique at laser excitation wavelength of 532 nm with 10 ns pulse. The conjugates outperformed the Pc complexes alone with the conjugates of 2-SQDs affording highest nonlinear absorption coefficient (beta(eff)) value of similar to 80 cm/GW and lowest limiting threshold (I-lim) value of similar to 0.27 J.cm(-2) as compared to other samples while complex 1 gave low beta(eff) and high I-lim values of 42.2 cm/GW and 1.39 J.cm(-2), respectively. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2018.11.024