3,4-bis((1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)methyl)thieno[2,3-b]thiophene | 1335109-92-6

• 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((1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)methyl)thieno[2,3-b]thiophene
• 英文别名: 13-[[4-(1,4,7,10-Tetraoxa-13-azacyclopentadec-13-ylmethyl)thieno[2,3-b]thiophen-3-yl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane；13-[[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)thieno[2,3-b]thiophen-3-yl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
• CAS: 1335109-92-6
• 化学式: C₂₈H₄₆N₂O₈S₂
• 分子量: 602.814
• InChiKey: VAMXPWAOIANMMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3,4-二甲基噻吩并噻吩 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 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

文献信息

• Synthesis, complexation, and fluorescence behavior of 3,4-dimethylthieno[2,3-b]thiophene carrying two monoaza-15-crown-5 ether groups
  作者：Yong Xiang Wu、Jing Cao、Hai Yan Deng、Jun Xiang Feng

  DOI：10.1016/j.saa.2011.07.058

  日期：2011.11

  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.