methyl 6-oxo-1-(3-(trifluoromethyl)phenyl)-3,4,6,11-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-11-carboxylate | 1595283-50-3

• 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: methyl 6-oxo-1-(3-(trifluoromethyl)phenyl)-3,4,6,11-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-11-carboxylate
• 英文别名: Methyl 6-oxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydropyrazino[1,2-b]isoquinoline-11-carboxylate
• CAS: 1595283-50-3
• 化学式: C₂₁H₁₇F₃N₂O₃
• 分子量: 402.373
• InChiKey: VBBMALNODQINLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 2-(2-((tert-butoxycarbonyl)amino)ethyl)-1-oxo-3-(3-(trifluoromethyl)-benzoyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 6-oxo-1-(3-(trifluoromethyl)phenyl)-3,4,6,11-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-11-carboxylate
  参考文献：
  名称：

  Convenient access to novel functionalized pyrazino[1,2-b]isoquinolin-6-one and diazepino[1,2-b]isoquinolin-7-one scaffolds via the Cushman multicomponent reaction followed by post-condensation

  摘要：

  Post-multicomponent reaction modifications of Cushman reaction-derived 1,2,3,4-tetrahydroisoquinolin-4-carboxylic acids turned out to be a surprisingly underdeveloped strategy in scaffold-oriented synthesis. In this Letter, we describe a concise synthesis of hitherto unreported pyrazino- and diazepino-fused isoquinolones in two chemical operations. The synthesis involves the use, for the first time, of aryl glyoxals as carbonyl components for the Cushman multicomponent reaction. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.099