N,N-dimethyl-2-(pyrrolo[2,3-f]isoquinolin-1-yl)ethylamine | 532398-92-8

• 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,N-dimethyl-2-(pyrrolo[2,3-f]isoquinolin-1-yl)ethylamine
• 英文别名: 1H-Pyrrolo[2,3-f]isoquinoline-1-ethanamine, N,N-dimethyl-；N,N-dimethyl-2-pyrrolo[2,3-f]isoquinolin-1-ylethanamine
• CAS: 532398-92-8
• 化学式: C₁₅H₁₇N₃
• 分子量: 239.32
• InChiKey: YFHUYWQXKGWKFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯-N,N-二甲基乙胺 、 1H-pyrrolo<2,3-f>isoquinoline 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以75%的产率得到N,N-dimethyl-2-(pyrrolo[2,3-f]isoquinolin-1-yl)ethylamine
  参考文献：
  名称：

  An expeditious synthesis of cytotoxic pyrroloisoquinoline derivatives.

  摘要：

  A number of pyrroloisoquinolines have been prepared by reaction of 5-nitroisoquinoline with vinylmagnesium bromide followed by N-alkylation with the appropriate 2-chloro-N,N-dialkylethylamine. Their cytotoxicity was evaluated in a number of ovarian cell lines and compared to their analogous isomeric pyrroloquinolines. Two of the new compounds, 7c and 7d, are selective toward the A2780 cisplatin-resistant line. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0928-0987(02)00163-x

文献信息

• An expeditious synthesis of cytotoxic pyrroloisoquinoline derivatives.
  作者：Margarita Vlachou、Andrew Tsotinis、Lloyd R Kelland、David E Thurston

  DOI：10.1016/s0928-0987(02)00163-x

  日期：2002.11

  A number of pyrroloisoquinolines have been prepared by reaction of 5-nitroisoquinoline with vinylmagnesium bromide followed by N-alkylation with the appropriate 2-chloro-N,N-dialkylethylamine. Their cytotoxicity was evaluated in a number of ovarian cell lines and compared to their analogous isomeric pyrroloquinolines. Two of the new compounds, 7c and 7d, are selective toward the A2780 cisplatin-resistant line. (C) 2002 Elsevier Science B.V. All rights reserved.