5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline | 1254950-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline
• CAS: 1254950-80-5
• 化学式: C₂₈H₂₄N₂O
• 分子量: 404.511
• InChiKey: PIOFJXTYGUUTKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-iodo-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline 、 4-甲氧基苯硼酸 在 5% Pd(II)/C(eggshell) 、 sodium carbonate 、 三苯基膦 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 以80%的产率得到5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline
  参考文献：
  名称：

  An efficient route to diverse H-pyrazolo[5,1-a]isoquinolines via sequential multi-component/cross-coupling reactions

  摘要：

  Multi-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, electrophile (bromine or iodine), and ketone or aldehyde under mild conditions proceeds smoothly to afford the functionalized H-pyrazolo[5,1-a]isoquinolines in good yields. This one-pot process involves intermolecular condensation, electrophilic cyclization, nucleophilic addition, intramolecular condensation, and aromatization. The resulting halo-containing H-pyrazolo[5,1-a]isoquinolines could be further elaborated via palladium-catalyzed cross-coupling reactions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.005

文献信息

• An efficient route to diverse H-pyrazolo[5,1-a]isoquinolines via sequential multi-component/cross-coupling reactions
  作者：Xingxin Yu、Xiaolin Pan、Jie Wu

  DOI：10.1016/j.tet.2010.12.005

  日期：2011.2

  Multi-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, electrophile (bromine or iodine), and ketone or aldehyde under mild conditions proceeds smoothly to afford the functionalized H-pyrazolo[5,1-a]isoquinolines in good yields. This one-pot process involves intermolecular condensation, electrophilic cyclization, nucleophilic addition, intramolecular condensation, and aromatization. The resulting halo-containing H-pyrazolo[5,1-a]isoquinolines could be further elaborated via palladium-catalyzed cross-coupling reactions. (C) 2010 Elsevier Ltd. All rights reserved.