3,3''-bis((11-iodo-3,6,9-trioxaundecyl)sulfanyl)-3',4'-ethylenedioxy-2,2':5',2''-terthiophene | 945655-48-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3,3''-bis((11-iodo-3,6,9-trioxaundecyl)sulfanyl)-3',4'-ethylenedioxy-2,2':5',2''-terthiophene
• 英文别名: 5,7-Bis[3-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethylsulfanyl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• CAS: 945655-48-1
• 化学式: C₃₀H₄₀I₂O₈S₅
• 分子量: 942.782
• InChiKey: OHNJMRGJFMNEPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  45
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  209
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3,3''-bis((2-cyanoethyl)sulfanyl)-3',4'-ethylenedioxy-2,2':5',2''-terthiophene 、 3,3''-bis((11-iodo-3,6,9-trioxaundecyl)sulfanyl)-3',4'-ethylenedioxy-2,2':5',2''-terthiophene 在 cesium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以36%的产率得到
  参考文献：
  名称：

  Synthesis and Metal Cation Complexing Properties of Crown-Annelated Terthiophenes Containing 3,4-Ethylenedioxythiophene

  摘要：

  Macrocyclic systems derived from crown-annelated terthiophene involving a median EDOT unit have been synthesized by coupling diiodooligooxyethylene chains and bis(2-cyanoethylsulfanyl)terthiophene under high dilution conditions. The metal cation complexing properties of the compounds have been analyzed using H-1 NMR, UV-vis spectroscopy, and cyclic voltammetry. These various experiments provide consistent results showing that one of the compounds exhibits interesting complexing properties for Pb2+.

  DOI：

  10.1021/jo070699s
• 作为产物：
  描述：

  2-bromo-3-(2-cyanoethylsulfanyl)thiophene 在 四(三苯基膦)钯 cesium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 13.0h， 生成 3,3''-bis((11-iodo-3,6,9-trioxaundecyl)sulfanyl)-3',4'-ethylenedioxy-2,2':5',2''-terthiophene
  参考文献：
  名称：

  Synthesis and Metal Cation Complexing Properties of Crown-Annelated Terthiophenes Containing 3,4-Ethylenedioxythiophene

  摘要：

  Macrocyclic systems derived from crown-annelated terthiophene involving a median EDOT unit have been synthesized by coupling diiodooligooxyethylene chains and bis(2-cyanoethylsulfanyl)terthiophene under high dilution conditions. The metal cation complexing properties of the compounds have been analyzed using H-1 NMR, UV-vis spectroscopy, and cyclic voltammetry. These various experiments provide consistent results showing that one of the compounds exhibits interesting complexing properties for Pb2+.

  DOI：

  10.1021/jo070699s