6'-hydroxy-3'-(2,2-dimethyl-1,3-dioxolan-4-yl-methoxy)spiro(isobenzofuran-1(3H),9'(9'H)-xanthen)-3-one | 680227-56-9

• 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: 6'-hydroxy-3'-(2,2-dimethyl-1,3-dioxolan-4-yl-methoxy)spiro(isobenzofuran-1(3H),9'(9'H)-xanthen)-3-one
• CAS: 680227-56-9
• 化学式: C₂₆H₂₂O₇
• 分子量: 446.456
• InChiKey: FIIIEIBLUZSGSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.49
• 重原子数：
  33.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.45
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  6'-hydroxy-3'-(2,2-dimethyl-1,3-dioxolan-4-yl-methoxy)spiro(isobenzofuran-1(3H),9'(9'H)-xanthen)-3-one 在 4-二甲氨基吡啶 、 ammonium cerium(IV) nitrate 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 6.08h， 生成 6'-(2-chloroacetoxy)-3'-(2,3-dihydroxypropoxy)spiro(isobenzofuran-1(3H),9'(9'H)-xanthen)-3-one
  参考文献：
  名称：

  New fluorescent probes for testing combinatorial catalysts with phosphodiesterase and esterase activities

  摘要：

  Combinatorial development of new catalysts with phosphodiesterase and esterase activities requires specific fluorescent probes for rapid visual detection of hydrolytic activity. Such fluorescent probes have been synthesized with special attention to solubility in water and stability towards spontaneous hydrolysis at a given pH. The probes reported here include compound 5 based on a fluorescein fluorophore, compound 12 for FRET-detection of phosphodiester hydrolysis and compound 25 based on a quinolinium fluorophore. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.032
• 作为产物：
  描述：

  荧光素 在 三氯化铁 、 magnesium methanolate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 6'-hydroxy-3'-(2,2-dimethyl-1,3-dioxolan-4-yl-methoxy)spiro(isobenzofuran-1(3H),9'(9'H)-xanthen)-3-one
  参考文献：
  名称：

  New fluorescent probes for testing combinatorial catalysts with phosphodiesterase and esterase activities

  摘要：

  Combinatorial development of new catalysts with phosphodiesterase and esterase activities requires specific fluorescent probes for rapid visual detection of hydrolytic activity. Such fluorescent probes have been synthesized with special attention to solubility in water and stability towards spontaneous hydrolysis at a given pH. The probes reported here include compound 5 based on a fluorescein fluorophore, compound 12 for FRET-detection of phosphodiester hydrolysis and compound 25 based on a quinolinium fluorophore. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.032