7-[[1-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethyl]triazol-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone | 1190595-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 7-[[1-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethyl]triazol-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• 英文别名: 7-[[1-[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethyl]triazol-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1190595-21-1
• 化学式: C₅₁H₅₁N₅O₄S₈
• 分子量: 1054.53
• InChiKey: IKYJQWWVEJLFLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  68
• 可旋转键数：
  20
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  308
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (1-hexylheptyl)-N'-propargylperylene-3,4:9,10-tetracarboxdiimide 、 2-(2-azidoethylthio)-6,7-bis(methylthio)-3-methylthiotetrathiafulvalene 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31%的产率得到7-[[1-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethyl]triazol-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  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.