2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5H-[1,3]dithiolo[4,5-c]pyrrole | 1239448-97-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5H-[1,3]dithiolo[4,5-c]pyrrole
• CAS: 1239448-97-5
• 化学式: C₂₀H₂₉NS₆
• 分子量: 475.853
• InChiKey: PZTBZQXDUROMIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  168
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5H-[1,3]dithiolo[4,5-c]pyrrole 、 tris(4-bromo-2,6-dimethylphenyl)borane 在 potassium phosphate 、 copper(l) iodide 、 trans-1,2-Diaminocyclohexane 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以49%的产率得到Tris[4-[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrol-5-yl]-2,6-dimethylphenyl]borane
  参考文献：
  名称：

  Boron-Containing Monopyrrolo-Annelated Tetra thiafulvalene Compounds: Synthesis and Absorption Spectral/Electrochemical Responsiveness toward Fluoride Ion

  摘要：

  Two new boron-based conjugated compounds 1 and 2 containing one and three monopyrrolo-annelated tetrathiafulvalene (TTF) unit(s) were synthesized and characterized. They exhibit typical ICT absorptions which can be modulated after addition of fluoride ion. In addition, the oxidation potentials of 1 and 2 are shifted to low potential region in the presence of fluoride ion. Such absorption spectral and electrochemical responsiveness of 1 and 2 toward fluoride ion is due to the binding of the boron units with fluoride ion.

  DOI：

  10.1021/jo1007306
• 作为产物：
  描述：

  2-(4,5-bis(hexylthio)-1,3-dithiol-2-ylidene)-5-tosyl-5H-[1,3]dithiolo[4,5-c]pyrrole 在 甲醇 、 sodium methylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以70%的产率得到2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5H-[1,3]dithiolo[4,5-c]pyrrole
  参考文献：
  名称：

  Boron-Containing Monopyrrolo-Annelated Tetra thiafulvalene Compounds: Synthesis and Absorption Spectral/Electrochemical Responsiveness toward Fluoride Ion

  摘要：

  Two new boron-based conjugated compounds 1 and 2 containing one and three monopyrrolo-annelated tetrathiafulvalene (TTF) unit(s) were synthesized and characterized. They exhibit typical ICT absorptions which can be modulated after addition of fluoride ion. In addition, the oxidation potentials of 1 and 2 are shifted to low potential region in the presence of fluoride ion. Such absorption spectral and electrochemical responsiveness of 1 and 2 toward fluoride ion is due to the binding of the boron units with fluoride ion.

  DOI：

  10.1021/jo1007306

文献信息

• Boron-Containing Monopyrrolo-Annelated Tetra thiafulvalene Compounds: Synthesis and Absorption Spectral/Electrochemical Responsiveness toward Fluoride Ion
  作者：Jing Li、Guanxin Zhang、Deqing Zhang、Renhui Zheng、Qiang Shi、Daoben Zhu

  DOI：10.1021/jo1007306

  日期：2010.8.6

  Two new boron-based conjugated compounds 1 and 2 containing one and three monopyrrolo-annelated tetrathiafulvalene (TTF) unit(s) were synthesized and characterized. They exhibit typical ICT absorptions which can be modulated after addition of fluoride ion. In addition, the oxidation potentials of 1 and 2 are shifted to low potential region in the presence of fluoride ion. Such absorption spectral and electrochemical responsiveness of 1 and 2 toward fluoride ion is due to the binding of the boron units with fluoride ion.