2-[2-[[26,27,28-Tris[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate | 537041-54-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-[[26,27,28-Tris[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate
• 英文别名: 2-[2-[[26,27,28-tris[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 537041-54-6
• 化学式: C₇₂H₈₀O₂₀S₄
• 分子量: 1393.68
• InChiKey: BWXKHCVYGLVXNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  96
• 可旋转键数：
  36
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  281
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  calix[4]arene-crown-5 、 2-[2-[[26,27,28-Tris[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以25%的产率得到2a,5a,13,16,19,19a,22a,25a,28a,31a,33,36,39,53,56,59,62,65,79,82,85,99-Docosaoxanonadecacyclo[105.25.1.111,117.121,87.131,97.141,67.151,77.05,132.07,12.020,25.027,32.040,45.047,52.066,71.073,78.086,91.093,98.0106,111.0113,118]octatriacontahecta-1(32a),2,4,6a(7a),7(12),8,8a(9a),10,10a(11a),13a(18a),14a(15a),16a(17a),20(25),21,23,27,29,31,40(45),41,43,47(52),48,50,66,68,70,73,75,77,86(91),87,89,93,95,97-hexatriacontaene
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6
• 作为产物：
  描述：

  杯[4]芳烃 在 sodium hydroxide 、 potassium carbonate 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 48.0h， 生成 2-[2-[[26,27,28-Tris[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethoxy]ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6

文献信息

• Aggregation-induced emission enhancement upon Al³⁺ complexation with a tetrasulfonated calix[4]bisazacrown fluorescent molecular sensor
  作者：Yi-Bin Ruan、Alexis Depauw、Isabelle Leray

  DOI：10.1039/c4ob00187g

  日期：——

  exhibited aggregation-induced emission enhancement, which was based on the change of micro-environmental polarity of the fluorophore. In the light of the phenomenon, a new water-soluble ligand bearing a tetrasulfonated calix[4]arene was constructed for ratiometric detection of Al3+ based on an aggregation-induced emission enhancement mechanism. It displayed a distinct selectivity to Al3+ among the tested

  聚集诱导的排放和聚集诱导的排放增强由于其在现实应用中的巨大潜力而​​备受关注。到目前为止，大多数报告都是基于聚集体中发光剂自由旋转的限制。在目前的工作中，我们发现具有典型的分子内电荷转移特性的丹磺酰基荧光团也表现出聚集诱导的发射增强，这是基于荧光团的微环境极性的变化。针对这种现象，基于聚集诱导的发射增强机理，构建了一种新型的带有四磺化杯[4]芳烃的水溶性配体，用于Al 3+的比例检测。它显示出对Al 3+的独特选择性在二甲基吡啶缓冲溶液（pH 6-7）中测试的阳离子中，检出限为1.8μM。可逆反应也通过加入EDTA或F的证明- 。
• Modular chemistry. Double- and multi-1,3-alternate-calixcrowns
  作者：Sung Kuk Kim、Wonbo Sim、Jacques Vicens、Jong Seung Kim

  DOI：10.1016/s0040-4039(02)02657-6

  日期：2003.1

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.