N-(4-methoxy-4-oxobutyl)cassiarin A chloride | 1251441-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-(4-methoxy-4-oxobutyl)cassiarin A chloride
• CAS: 1251441-15-2
• 化学式: C₁₈H₂₀NO₄*Cl
• 分子量: 349.814
• InChiKey: ATBYLEPEOHVLEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.15
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.64
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(4-methoxy-4-oxobutyl)cassiarin A chloride 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 0.08h， 以60%的产率得到cassiarin B
  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 、 4-氨基丁酸甲酯盐酸盐 在 三乙胺 、 盐酸 作用下， 以 甲醇 为溶剂， 反应 14.0h， 以87%的产率得到N-(4-methoxy-4-oxobutyl)cassiarin A 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