2'-Anilino-6'-(dibutylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-3'-methylspiro[isoindole-3,9'-xanthene]-1-one | 1254831-52-1

• 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: 2'-Anilino-6'-(dibutylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-3'-methylspiro[isoindole-3,9'-xanthene]-1-one
• CAS: 1254831-52-1
• 化学式: C₄₄H₄₆N₄O₃
• 分子量: 678.874
• InChiKey: XFHNWULEQZRPNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  51
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-甲基-4-甲氧基二苯胺 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 2'-Anilino-6'-(dibutylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-3'-methylspiro[isoindole-3,9'-xanthene]-1-one
  参考文献：
  名称：

  Highly Selective Colorimetric Signaling of Iron Cations Based on Fluoran Dye

  摘要：

  A highly selective colorimetric chemosensor based on fluoran dye for iron cations, 2'-anilino-3'methyl-6'-dibuthylamino-N-(2'-(2 ''-hydroxybenzylideneamino)ethyl)iso-indolin-1-one-fluoran ( 5), was designed and synthesized. The chemical structures of all the intermediates and fluoran dye 5 were characterized by H-1-NMR, C-13-NMR, MS and elemental analysis. And its sensing behavior toward metal ions was investigated by UV-visible absorption spectroscopes. The fluoran dye 5 chemosensor showed an extreme selectivity for Fe2+ and Fe3+ in acetonitrile solution. Whereas other ions including Mg2+, Pd2+, Ni2+, Hg2+, Cd2+, Ag+, Cu2+, Zn2+ and Al3+ induced basically no spectral change, which constituted a Fe2+ highly sensitive and selective colorimetric chemosensor from colorless to black by "naked eyes." Spectral responses at lambda(max) = 653 nm reveals that dye 5 can function as OR logic gate with Fe2+ and Fe3+ as input variables.

  DOI：

  10.1080/15421400902946319