4',5'-Dimethyl-3',6'-bis[(4-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one | 1333505-20-6

• 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: 4',5'-Dimethyl-3',6'-bis[(4-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one
• 英文别名: 4',5'-dimethyl-3',6'-bis[(4-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one
• CAS: 1333505-20-6
• 化学式: C₃₆H₂₆N₂O₉
• 分子量: 630.61
• InChiKey: JVVLXFMSXCPTNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  146
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4',5'-Dimethyl-3',6'-bis[(4-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 33.0h， 生成 3',6'-bis[[4-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]phenyl]methoxy]-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of a novel class of fluorescein-based N-glycosylamines

  摘要：

  A series of fluorescein-based N-glycosylamines was synthesized from the corresponding fluorescein amine and a partially protected D-glucose. The physiochemical investigation of these compounds by spectral and morphological studies reveals their gelation potential. The exclusive localization of fluorescence in the cytoplasm through cell imaging studies reveals the anti-cancer potentials of N-glycosylamines. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.06.001
• 作为产物：
  描述：

  对硝基溴化苄 、 7a-(6'-hydroxy-4',5'-dimethyl-3'-oxo-3H-xanthen-9'-yl)benzoic acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以53%的产率得到4',5'-Dimethyl-3',6'-bis[(4-nitrophenyl)methoxy]spiro[2-benzofuran-3,9'-xanthene]-1-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of a novel class of fluorescein-based N-glycosylamines

  摘要：

  A series of fluorescein-based N-glycosylamines was synthesized from the corresponding fluorescein amine and a partially protected D-glucose. The physiochemical investigation of these compounds by spectral and morphological studies reveals their gelation potential. The exclusive localization of fluorescence in the cytoplasm through cell imaging studies reveals the anti-cancer potentials of N-glycosylamines. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.06.001