N-octadecylperylene-3,4:9,10-tetracaboxylic-3,4-permethyl-β-cyclodextrin-9,10-imide | 1253913-49-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-octadecylperylene-3,4:9,10-tetracaboxylic-3,4-permethyl-β-cyclodextrin-9,10-imide
• 英文别名: 7-octadecyl-18-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]-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: 1253913-49-3
• 化学式: C₁₀₄H₁₅₄N₂O₃₈
• 分子量: 2040.36
• InChiKey: UCDUUEQCQFYKFA-NDAIZYKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  144
• 可旋转键数：
  45
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  389
• 氢给体数：
  0
• 氢受体数：
  38

反应信息

• 作为产物：
  描述：

  mono(6-amino-6-deoxy)-per(2,3,6-O-methyl)-β-cyclodextrin 、 N-octadecylperylene-3,4:9,10-tetracarboxylic-3,4-anhydride-9,10-imide 在 吡啶 、 zinc diacetate 作用下， 反应 48.0h， 以43%的产率得到N-octadecylperylene-3,4:9,10-tetracaboxylic-3,4-permethyl-β-cyclodextrin-9,10-imide
  参考文献：
  名称：

  Self-Assembly of Amphiphilic Perylene−Cyclodextrin Conjugate and Vapor Sensing for Organic Amines

  摘要：

  An asymmetric, amphiphilic perylene bisimide derivative 1 was synthesized by grafting permethyl-beta-cyclodextrin at one side and an octadecyl chain at the other side. Its aggregation capability and morphology, which attract intense interest, were carefully examined by combination of UV-vis, NMR, and fluorescence spectroscopy, DLS, XRD, TEM, and SEM. By adjusting the volume ratio of water and methanol, we are able to control the morphology, benefiting from the amphiphilicity of 1. Furthermore, the particular resulting aggregates were employed as solid-state fluorescence sensing for organic amines. An improvement or both selectivity and sensitivity is achieved compared to previous publications.

  DOI：

  10.1021/jo1014596

文献信息

• Self-Assembly of Amphiphilic Perylene−Cyclodextrin Conjugate and Vapor Sensing for Organic Amines
  作者：Bang-Ping Jiang、Dong-Sheng Guo、Yu Liu

  DOI：10.1021/jo1014596

  日期：2010.11.5

  An asymmetric, amphiphilic perylene bisimide derivative 1 was synthesized by grafting permethyl-beta-cyclodextrin at one side and an octadecyl chain at the other side. Its aggregation capability and morphology, which attract intense interest, were carefully examined by combination of UV-vis, NMR, and fluorescence spectroscopy, DLS, XRD, TEM, and SEM. By adjusting the volume ratio of water and methanol, we are able to control the morphology, benefiting from the amphiphilicity of 1. Furthermore, the particular resulting aggregates were employed as solid-state fluorescence sensing for organic amines. An improvement or both selectivity and sensitivity is achieved compared to previous publications.