2-(4-Tert-butylphenyl)-5-[4-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phenyl]-1,3,4-oxadiazole | 1094440-41-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-Tert-butylphenyl)-5-[4-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phenyl]-1,3,4-oxadiazole
• 英文别名: 2-(4-tert-butylphenyl)-5-[4-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phenyl]-1,3,4-oxadiazole
• CAS: 1094440-41-1
• 化学式: C₂₄H₂₀N₂OS₄
• 分子量: 480.7
• InChiKey: IVCKUGITBWOVGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  四硫富瓦烯 、 2-(4-溴苯基)-5-(4-叔丁基苯基)-1,3,4-恶二唑 在 正丁基锂 、 三丁基氯化锡 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 以53%的产率得到2-(4-Tert-butylphenyl)-5-[4-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phenyl]-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis, structure, and photoelectrochemical properties of new tetrathiafulvalene-diphenyl-1,3,4-oxadiazole dyads

  摘要：

  New donor-acceptor dyads containing tetrathiafulvalene (TTF) and 2,5-diphenyl-1,3,4-oxadiazole (PPD) moieties were synthesized to develop new photoconducting materials. Crystal structure analysis indicated the highly planar molecular skeleton of the dyad. Fluorescence from the PPD part was almost quenched by the intramolecular electron transfer from the TTF part to the PPD part. Photoelectrochemical measurements indicate that cathodic photocurrents can be generated from a thin film of the dyad spin-coated on ITO electrode. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.001

文献信息

• Synthesis, structure, and photoelectrochemical properties of new tetrathiafulvalene-diphenyl-1,3,4-oxadiazole dyads
  作者：Hideki Fujiwara、Yasuo Sugishima、Keijiro Tsujimoto

  DOI：10.1016/j.tetlet.2008.10.001

  日期：2008.12

  New donor-acceptor dyads containing tetrathiafulvalene (TTF) and 2,5-diphenyl-1,3,4-oxadiazole (PPD) moieties were synthesized to develop new photoconducting materials. Crystal structure analysis indicated the highly planar molecular skeleton of the dyad. Fluorescence from the PPD part was almost quenched by the intramolecular electron transfer from the TTF part to the PPD part. Photoelectrochemical measurements indicate that cathodic photocurrents can be generated from a thin film of the dyad spin-coated on ITO electrode. (C) 2008 Elsevier Ltd. All rights reserved.