3,4-bis(bromomethyl)thieno[2,3-b]thiophene | 1335109-91-5

• 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: 3,4-bis(bromomethyl)thieno[2,3-b]thiophene
• CAS: 1335109-91-5
• 化学式: C₈H₆Br₂S₂
• 分子量: 326.076
• InChiKey: NYOVCRDJDZZSQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-bis(bromomethyl)thieno[2,3-b]thiophene 、 氮杂-15-冠醚-5 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以76%的产率得到3,4-bis((1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)methyl)thieno[2,3-b]thiophene
  参考文献：
  名称：

  Synthesis, complexation, and fluorescence behavior of 3,4-dimethylthieno[2,3-b]thiophene carrying two monoaza-15-crown-5 ether groups

  摘要：

  A novel fluoroionophore 1 based on 3,4-dimethylthieno[2,3-b]thiophene bearing two monoaza-15-crown-5 ethers at 3- and 4-positions was prepared. UV-vis and fluorescence responses of compound 1 upon the addition of alkali and alkaline earth metal cations were evaluated in acetonitrile solution. Receptor 1 showed unique response for Ba2+ due to the formation of an intramolecular sandwich complex. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.07.058
• 作为产物：
  描述：

  3,4-二甲基(2,3-b)-噻吩-2,5-二羧酸二乙酯 在 喹啉 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 铜 、 sodium hydroxide 作用下， 以 四氯化碳 、 乙醇 为溶剂， 反应 5.0h， 生成 3,4-bis(bromomethyl)thieno[2,3-b]thiophene
  参考文献：
  名称：

  Synthesis, complexation, and fluorescence behavior of 3,4-dimethylthieno[2,3-b]thiophene carrying two monoaza-15-crown-5 ether groups

  摘要：

  A novel fluoroionophore 1 based on 3,4-dimethylthieno[2,3-b]thiophene bearing two monoaza-15-crown-5 ethers at 3- and 4-positions was prepared. UV-vis and fluorescence responses of compound 1 upon the addition of alkali and alkaline earth metal cations were evaluated in acetonitrile solution. Receptor 1 showed unique response for Ba2+ due to the formation of an intramolecular sandwich complex. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.07.058