| 1568938-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1568938-53-3
• 化学式: C₁₆H₁₂O₂S₃
• 分子量: 332.468
• InChiKey: XVTJNPHDLQNPTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 四氯化钛 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 锌 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Novel thiophene-substituted tetrathia[22]annulenes[2,1,2,1]: synthesis, physical properties, and improvement in field-effect behavior

  摘要：

  Novel conjugated macrocycles, thiophene-substituting tetrathia[22]annulenes[2,1,2,1] (TTAs, and 5b), were synthesized through a convenient four-step procedure. They were evidenced to have high aromaticity by NMR, UV-vis absorption spectra, and calculation. Their UV vis absorption spectra, thermal stability, electrochemical properties, thin film morphology were studied and the field-effect transistors based on 5a and 5b through a vapor deposition method performed good with reproducible bulk-like carrier mobilities (as high as 0.53 cm(2) V-1 S-1) and high on/off ratios (as high as 9.0x10(5)), which was among the best records in this series. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.01.041
• 作为产物：
  描述：

  5-甲基-2-噻吩甲醛 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Novel thiophene-substituted tetrathia[22]annulenes[2,1,2,1]: synthesis, physical properties, and improvement in field-effect behavior

  摘要：

  Novel conjugated macrocycles, thiophene-substituting tetrathia[22]annulenes[2,1,2,1] (TTAs, and 5b), were synthesized through a convenient four-step procedure. They were evidenced to have high aromaticity by NMR, UV-vis absorption spectra, and calculation. Their UV vis absorption spectra, thermal stability, electrochemical properties, thin film morphology were studied and the field-effect transistors based on 5a and 5b through a vapor deposition method performed good with reproducible bulk-like carrier mobilities (as high as 0.53 cm(2) V-1 S-1) and high on/off ratios (as high as 9.0x10(5)), which was among the best records in this series. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.01.041