| 1226984-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• CAS: 1226984-86-6
• 化学式: C₃₆H₃₈N₂O₁₀S₂
• 分子量: 722.837
• InChiKey: XSYDIFSGMYCAPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  50.0
• 可旋转键数：
  18.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  163.4
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  、 calix<4>crown-6 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以69%的产率得到3,6,26,29,43,46,49,52,55,58-Decaoxa-9,23-diazadecacyclo[39.28.1.114,18.131,60.02,66.010,15.017,22.030,35.037,42.059,64]doheptaconta-1(69),2(66),10,12,14,17,19,21,30,32,34,37,39,41,59(64),60,62,67-octadecaene-16,72-dione
  参考文献：
  名称：

  ESIPT-based anthraquinonylcalix[4]crown chemosensor for In3+

  摘要：

  An ESIPT-based novel fluorescent chemosensor, 1,8-anthraquinonylcalix[4]monocrown-6 (1), which displayed a selective fluorescent change with In3+ among various metal ions, was rationally designed and synthesized. Upon the addition of In3+, the probe displayed a fluorescence decrease at 625 nm, at the same time, an increase of the band centered at 535 nm was observed. This sensing process was also proved by the H-1 NMR titration and electrochemical tests. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.006
• 作为产物：
  描述：

  1,8-bis[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione 、 对甲苯磺酰氯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以21%的产率得到
  参考文献：
  名称：

  ESIPT-based anthraquinonylcalix[4]crown chemosensor for In3+

  摘要：

  An ESIPT-based novel fluorescent chemosensor, 1,8-anthraquinonylcalix[4]monocrown-6 (1), which displayed a selective fluorescent change with In3+ among various metal ions, was rationally designed and synthesized. Upon the addition of In3+, the probe displayed a fluorescence decrease at 625 nm, at the same time, an increase of the band centered at 535 nm was observed. This sensing process was also proved by the H-1 NMR titration and electrochemical tests. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.006