3-pentylthieno[3,2-b]thiophene-2-carboxylic acid | 950224-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: 3-pentylthieno[3,2-b]thiophene-2-carboxylic acid
• 英文别名: 3-Pentylthieno[3,2-b]thiophene-2-carboxylic acid；6-pentylthieno[3,2-b]thiophene-5-carboxylic acid
• CAS: 950224-05-2
• 化学式: C₁₂H₁₄O₂S₂
• 分子量: 254.374
• InChiKey: ZHTDHPMCJVWXNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  93.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-pentylthieno[3,2-b]thiophene-2-carboxylic acid 在 氯化亚砜 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, photochromic and fluorescent properties of hybrid compounds of fulgimides and benzothiazolylthienothiophene

  摘要：

  The precursors and hybrid compounds, including photochromic fulgimides and fluorescent benzothiazolylthienothiophene units, have been synthesized. Spectroscopic investigations by absorption and fluorescence methods showed that fulgimide hybrids display photochromism, but do not display fluorescence properties. A possible explanation for this fact is proposed and also the decreased effectiveness of photochromic conversion.

  DOI：

  10.1007/s10593-011-0745-9
• 作为产物：
  描述：

  ethyl [(2-hexanoylthien-3-yl)mercapto]acetate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以80%的产率得到3-pentylthieno[3,2-b]thiophene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis, photochromic and fluorescent properties of hybrid compounds of fulgimides and benzothiazolylthienothiophene

  摘要：

  The precursors and hybrid compounds, including photochromic fulgimides and fluorescent benzothiazolylthienothiophene units, have been synthesized. Spectroscopic investigations by absorption and fluorescence methods showed that fulgimide hybrids display photochromism, but do not display fluorescence properties. A possible explanation for this fact is proposed and also the decreased effectiveness of photochromic conversion.

  DOI：

  10.1007/s10593-011-0745-9