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 | 1226984-85-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 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
• 英文别名: 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
• CAS: 1226984-85-5
• 化学式: C₆₀H₆₄N₂O₁₂
• 分子量: 1005.17
• InChiKey: REWVYTRQJHXJNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  74
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  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

文献信息

• ESIPT-based anthraquinonylcalix[4]crown chemosensor for In3+
  作者：Do Young Han、Jun Myung Kim、Joohoon Kim、Hyo Sung Jung、Young Hoon Lee、Jun Feng Zhang、Jong Seung Kim

  DOI：10.1016/j.tetlet.2010.02.006

  日期：2010.4

  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.