3-(3,4-dihydro-7-hydroxy-β-carbolin-1-yl)propionic acid | 215810-15-4

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 3-(3,4-dihydro-7-hydroxy-β-carbolin-1-yl)propionic acid
• CAS: 215810-15-4
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: FTWJOLROXXXWTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  85.68
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(3,4-dihydro-7-hydroxy-β-carbolin-1-yl)propionic acid 在 钯 作用下， 反应 0.5h， 以10%的产率得到7-hydroxy-β-carboline 1-propionic acid
  参考文献：
  名称：

  Nitrogen-containing compounds from the moss Fontinalis squamosa

  摘要：

  The alkaloid harmol and its hitherto unknown propionic acid derivative as well as a new amino acid derivative fontinalin were isolated from the watermoss Fontinalis squamosa. The structures have been elucidated spectroscopically and by independent chemical synthesis. (C) 1998 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0031-9422(97)01034-0
• 作为产物：
  描述：

  6-benzyloxy-3-[2-(2-carboxybenzoylamino)ethyl]indole-2-carboxylic acid 在 吡啶 、 盐酸 、 一水合肼 、 三氯氧磷 作用下， 反应 5.0h， 生成 3-(3,4-dihydro-7-hydroxy-β-carbolin-1-yl)propionic acid
  参考文献：
  名称：

  Nitrogen-containing compounds from the moss Fontinalis squamosa

  摘要：

  The alkaloid harmol and its hitherto unknown propionic acid derivative as well as a new amino acid derivative fontinalin were isolated from the watermoss Fontinalis squamosa. The structures have been elucidated spectroscopically and by independent chemical synthesis. (C) 1998 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0031-9422(97)01034-0