N-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)carbamothioylamino]ethyl]-3,4,5-tridodecoxybenzamide | 1581884-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)carbamothioylamino]ethyl]-3,4,5-tridodecoxybenzamide
• CAS: 1581884-54-9
• 化学式: C₆₆H₉₅N₃O₉S
• 分子量: 1106.56
• InChiKey: LWWOSMJSFAOPAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.2
• 重原子数：
  79
• 可旋转键数：
  41
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  189
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-(2-aminoethyl)-3,4,5-tris(dodecyloxy)benzamide 、 6-异硫氰酸荧光素 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以65%的产率得到N-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)carbamothioylamino]ethyl]-3,4,5-tridodecoxybenzamide
  参考文献：
  名称：

  Organogel of fluorescein-based derivative formation in the selected pH value

  摘要：

  In this work, film structure was obtained by self-assembly of fluorescein derivative via sol-gel process. The self-assembly structure and the formation mechanism had been studied and certified by scanning electron microscopy, IR, UV-vis, fluorescence and X-ray diffraction experiment data. The UV-vis absorption and emission spectra of the compound 1 were changed with the change of the pH value in the solution state. This gelator had certain selectivity for pH value and formed gels.

  DOI：

  10.1080/10610278.2013.810340