| 1454845-69-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 1454845-69-2
• 化学式: C₆₀H₉₄N₄O₆S₄
• 分子量: 1095.69
• InChiKey: XCKVFZWNCGJMHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.23
• 重原子数：
  74.0
• 可旋转键数：
  38.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  103.5
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  1,5-二甲氧基-2,4-二硝基苯 在 劳森试剂 、 palladium on activated charcoal 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis of a crescent aromatic oligothioamide and its high selectivity in recognizing copper(II) ions

  摘要：

  Functionalization of shape-persistent aromatic oligoamides still represents a difficult task nowadays. A crescent aromatic oligothioamide was synthesized by simple thionation of the corresponding oligoamide with the Lawesson's reagent. The results from UV-vis spectra of the molecule upon metal ion complexation demonstrated its higher selectivity in recognizing Cu2+ ions compared to the oligoamide precursor. The stoichiometry of the complex formed between the thioamide and Cu2+ was found to be 1:1 with a binding constant of (4.3 +/- 0.9) x 10(4) mol/L. (C) 2013 Wen Feng. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.05.025