3,3',3''-((1E,1'E,1''E)-(((((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(sulfanediyl))tris(benzene-2,1-diyl))tris(azaneylylidene))tris(methaneylylidene))tris(benzene-1,2-diol) | 1192037-82-3

• 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: 3,3',3''-((1E,1'E,1''E)-(((((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(sulfanediyl))tris(benzene-2,1-diyl))tris(azaneylylidene))tris(methaneylylidene))tris(benzene-1,2-diol)
• CAS: 1192037-82-3
• 化学式: C₅₁H₄₅N₃O₆S₃
• 分子量: 892.133
• InChiKey: ZTKLVDLVLGUENC-DECLGNCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.97
• 重原子数：
  63.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  158.46
• 氢给体数：
  6.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  2,4,6-tris(o-aminophenylthiomethyl)mesitylene 、 2,3-二羟基苯甲醛 在 zinc(II) perchlorate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 0.5h， 以74%的产率得到3,3',3''-((1E,1'E,1''E)-(((((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(sulfanediyl))tris(benzene-2,1-diyl))tris(azaneylylidene))tris(methaneylylidene))tris(benzene-1,2-diol)
  参考文献：
  名称：

  A tripodal receptor bearing catechol groups for the chromogenic sensing of F− ions via frozen proton transfer

  摘要：

  A neutral tripodal Schiff base receptor (3) having catechol as end groups has been synthesized and characterized with the help of spectroscopic and single crystal X-ray crystallographic studies. The receptor behaves as a visually detectable optical sensor for F- ions in DMSO, sensitive enough to recognize the ions up to a concentration 1 x 10(-5) M with naked eye. The chromogenic response is based upon the deprotonation of the highly acidic catechol moieties in the presence of highly basic F- ions in a polar solvent like DMSO. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.08.023