(3,6-dimethoxy-9H-xanthen-9-yl)methanol | 1392603-15-4

• 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: (3,6-dimethoxy-9H-xanthen-9-yl)methanol
• CAS: 1392603-15-4
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: IYDKZDOVRXVXIM-UHFFFAOYSA-N

物化性质

• 沸点：
  419.6±45.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (3,6-dimethoxy-9H-xanthen-9-yl)methanol 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以97%的产率得到9-(bromomethyl)-3,6-dimethoxy-9H-xanthene
  参考文献：
  名称：

  Fluorescein Analogues as Photoremovable Protecting Groups Absorbing at ∼520 nm

  摘要：

  A new photoremovable protecting group, (6-hydroxy-3-oxo-3H-xanthen-9-yl)methyl (1), with a molar absorption coefficient e of similar to 4 x 10(4) m(-1) cm(-1) at similar to 520 nm for the release of carboxylates or phosphates is reported. Three derivatives of 1 (diethyl phosphate, acetate, and bromide) were isolated as complexes with DDQ and shown to release the ligands with quantum yields <= 2.4% in aqueous solution.

  DOI：

  10.1021/jo301455n
• 作为产物：
  描述：

  3,6-dimethoxy-9H-xanthen-9-one 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 甲苯 、 苯 为溶剂， 生成 (3,6-dimethoxy-9H-xanthen-9-yl)methanol
  参考文献：
  名称：

  Fluorescein Analogues as Photoremovable Protecting Groups Absorbing at ∼520 nm

  摘要：

  A new photoremovable protecting group, (6-hydroxy-3-oxo-3H-xanthen-9-yl)methyl (1), with a molar absorption coefficient e of similar to 4 x 10(4) m(-1) cm(-1) at similar to 520 nm for the release of carboxylates or phosphates is reported. Three derivatives of 1 (diethyl phosphate, acetate, and bromide) were isolated as complexes with DDQ and shown to release the ligands with quantum yields <= 2.4% in aqueous solution.

  DOI：

  10.1021/jo301455n