1-(4-氯-3-硝基苯基)-2,3,4,9-四氢-1H-beta-咔啉盐酸盐

• 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
• 中文名称: 1-(4-氯-3-硝基苯基)-2,3,4,9-四氢-1H-beta-咔啉盐酸盐
• 英文名称: 1-(4-Chloro-3-nitro-phenyl)-2,3,4,9-tetrahydro-1H-β-carboline; hydrochloride
• 英文别名: 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydron;chloride
• 化学式: C₁₇H₁₄ClN₃O₂*ClH
• 分子量: 364.231
• InChiKey: DVYFFPFMNKCWMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  色胺 、 4-氯-3-硝基苯甲醛 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 20.0 ℃ 、500.0 MPa 条件下， 反应 1.0h， 以88%的产率得到1-(4-氯-3-硝基苯基)-2,3,4,9-四氢-1H-beta-咔啉盐酸盐
  参考文献：
  名称：

  摘要：

  The reactions of aromatic aldehydes with tryptamine (1) in solvents of different polarity were studied. The yields of carbolines in the chosen media decrease with ail increase in the donating properties of the aryl substituent, but they markedly increase at a high pressure (5 kbar), especially for compounds with electron-donating aryl groups. The phase transition of dioxane at 5 kbar also sharply increases the yields of the target products.

  DOI：

  10.1023/a:1011306517653

文献信息

• ——
  作者：N. E. Agafonov、A. V. Dudin、A. A. Preobrazhenskii、V. M. Zhulin

  DOI：10.1023/a:1011306517653

  日期：——

  The reactions of aromatic aldehydes with tryptamine (1) in solvents of different polarity were studied. The yields of carbolines in the chosen media decrease with ail increase in the donating properties of the aryl substituent, but they markedly increase at a high pressure (5 kbar), especially for compounds with electron-donating aryl groups. The phase transition of dioxane at 5 kbar also sharply increases the yields of the target products.