2,3,6-tris(methylthio)-7-[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylthio]tetrathiafulvalene | 1190595-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,3,6-tris(methylthio)-7-[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylthio]tetrathiafulvalene
• 英文别名: 1-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethyl]-4-phenyltriazole；1-[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethyl]-4-phenyltriazole
• CAS: 1190595-19-7
• 化学式: C₁₉H₁₉N₃S₈
• 分子量: 545.908
• InChiKey: WCKMSBFJSMWOQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  233
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(2-azidoethylthio)-6,7-bis(methylthio)-3-methylthiotetrathiafulvalene 、 苯乙炔 在 copper(ll) sulfate pentahydrate 、 维生素 C 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以85%的产率得到2,3,6-tris(methylthio)-7-[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylthio]tetrathiafulvalene
  参考文献：
  名称：

  A tetrathiafulvalene–perylene diimide conjugate prepared via click chemistry

  摘要：

  A new tetrathiafulvalene (TTF)-perylene diimide (PDI) conjugate is prepared from an azide-functionalized TTF and an acetylenic PDI employing a Cu(I)-catalyzed Huisgen-Meldal-Sharpless reaction ('click chemistry'). Thus, the TTF donor and PDI acceptor units are linked together by a 1,2,3-triazole unit. The molecules are found to assemble on a mica surface, forming fibrilar structures. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.108

文献信息

• A tetrathiafulvalene–perylene diimide conjugate prepared via click chemistry
  作者：Katrine Qvortrup、Michael Åxman Petersen、Tue Hassenkam、Mogens Brøndsted Nielsen

  DOI：10.1016/j.tetlet.2009.07.108

  日期：2009.10

  A new tetrathiafulvalene (TTF)-perylene diimide (PDI) conjugate is prepared from an azide-functionalized TTF and an acetylenic PDI employing a Cu(I)-catalyzed Huisgen-Meldal-Sharpless reaction ('click chemistry'). Thus, the TTF donor and PDI acceptor units are linked together by a 1,2,3-triazole unit. The molecules are found to assemble on a mica surface, forming fibrilar structures. (C) 2009 Elsevier Ltd. All rights reserved.