2,5-Bis(2-decyltetradecyl)-1,4-bis(5-ethynylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione | 1555975-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2,5-Bis(2-decyltetradecyl)-1,4-bis(5-ethynylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
• 英文别名: 2,5-bis(2-decyltetradecyl)-1,4-bis(5-ethynylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
• CAS: 1555975-47-7
• 化学式: C₆₆H₁₀₄N₂O₂S₂
• 分子量: 1021.7
• InChiKey: ZVWFWLYCWYVCHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.8
• 重原子数：
  72
• 可旋转键数：
  48
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  97.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-双(5-溴噻吩-2-基)-2,5-双(2-癸基十四烷)吡咯并[3,4-C]吡咯-1,4(2H,5H)-二酮 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 3.08h， 生成 2,5-Bis(2-decyltetradecyl)-1,4-bis(5-ethynylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
  参考文献：
  名称：

  Chemodosimeter approach: Selective detection of fluoride ion using a diketopyrrolopyrrole derivative

  摘要：

  A diketopyrrolopyrrole derivative was synthesized and designed with two trimethylsilyl groups to allow for sensitive, selective and fast recognition of fluoride ions by using a chemodosimeter approach. The probe exhibited a blue shift in the absorption and emission spectra in the presence of fluoride ions due to deprotection of the electron donating trimethylsilyl groups in the probe. UV-vis absorption, fluorescence, density functional theory and cyclic voltammetry studies indicated fluoride triggered cleavage of the Si-C bond resulting in the blue spectral shift. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.12.006

文献信息

• Chemodosimeter approach: Selective detection of fluoride ion using a diketopyrrolopyrrole derivative
  作者：Matinder Kaur、Min Ju Cho、Dong Hoon Choi

  DOI：10.1016/j.dyepig.2013.12.006

  日期：2014.4

  A diketopyrrolopyrrole derivative was synthesized and designed with two trimethylsilyl groups to allow for sensitive, selective and fast recognition of fluoride ions by using a chemodosimeter approach. The probe exhibited a blue shift in the absorption and emission spectra in the presence of fluoride ions due to deprotection of the electron donating trimethylsilyl groups in the probe. UV-vis absorption, fluorescence, density functional theory and cyclic voltammetry studies indicated fluoride triggered cleavage of the Si-C bond resulting in the blue spectral shift. (C) 2013 Elsevier Ltd. All rights reserved.