4-butyl-8-hydroxy-2,5-dimethylpyrano[2,3,4-ij]isoquinolin-4-ium chloride | 1251441-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-butyl-8-hydroxy-2,5-dimethylpyrano[2,3,4-ij]isoquinolin-4-ium chloride
• CAS: 1251441-17-4
• 化学式: C₁₇H₂₀NO₂*Cl
• 分子量: 305.804
• InChiKey: LICFQQZWXRXXCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  33.34
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-butyl-8-hydroxy-2,5-dimethylpyrano[2,3,4-ij]isoquinolin-4-ium chloride 在 三乙胺 作用下， 以 水 为溶剂， 反应 0.08h， 以67%的产率得到4-butyl-2,5-dimethylpyrano[2,3,4-ij]isoquinolin-8-(4H)-one
  参考文献：
  名称：

  Transformation of barakol into cassiarins A, B, and their derivatives

  摘要：

  Three semi-syntheses of cassiarins A and B from barakol are described. The route involving use of anhydrobarakol chloride as a key precursor showed most versatility because it does not require an expensive catalyst, protection of functional groups, or chromatographic purification, allowing the facile preparation of eight cassiarin derivatives. The photophysical properties of these compounds were characterized by UV-vis absorption, fluorescence emission, and quantum yield. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.07.053
• 作为产物：
  描述：

  anhydrobarakol chloride 、 正丁胺 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 14.0h， 以88%的产率得到4-butyl-8-hydroxy-2,5-dimethylpyrano[2,3,4-ij]isoquinolin-4-ium chloride
  参考文献：
  名称：

  Transformation of barakol into cassiarins A, B, and their derivatives

  摘要：

  Three semi-syntheses of cassiarins A and B from barakol are described. The route involving use of anhydrobarakol chloride as a key precursor showed most versatility because it does not require an expensive catalyst, protection of functional groups, or chromatographic purification, allowing the facile preparation of eight cassiarin derivatives. The photophysical properties of these compounds were characterized by UV-vis absorption, fluorescence emission, and quantum yield. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.07.053