2-(pyridin-3-yloxy)-benzene-1,4-diol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(pyridin-3-yloxy)-benzene-1,4-diol
• 英文别名: cigatin A；2-pyridin-3-yloxybenzene-1,4-diol
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: BEQVBNJMLWADNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-(pyridin-3-yloxy)-benzene-1,4-diol 在 吡啶 作用下， 反应 10.0h， 生成 Acetic acid 4-acetoxy-2-(pyridin-3-yloxy)-phenyl ester
  参考文献：
  名称：

  Two New Alkaloids from Cigarette Smoke Condensate.

  摘要：

  Chemical constituents of MeOH extracts of cigarette smoke were studied. Two new alkaloids, named cigatin A (1), 2-(Pyridine-3-yloxy)-benzene-1', 4'-diol and B (2), 2(4-Methyl-pyridin-3-yloxy)-benzene-1', 4'-diol, were isolated from a mainstream condensate of cigarette together with seven known alkaloids. Their structures were determined on the basis of spectral data and chemical methods.

  DOI：

  10.1248/cpb.48.1990