5-butyl-9-chloro-1-ethyl-pyrazolo[5,1-a]isoquinoline | 1262639-29-1

• 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: 5-butyl-9-chloro-1-ethyl-pyrazolo[5,1-a]isoquinoline
• 英文别名: 5-Butyl-9-chloro-1-ethylpyrazolo[5,1-a]isoquinoline；5-butyl-9-chloro-1-ethylpyrazolo[5,1-a]isoquinoline
• CAS: 1262639-29-1
• 化学式: C₁₇H₁₉ClN₂
• 分子量: 286.804
• InChiKey: VQMHQAMGTMBJLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  17.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  5-chloro-2-(n-hex-1-ynyl)benzaldehyde 在 silver trifluoromethanesulfonate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.67h， 生成 5-butyl-9-chloro-1-ethyl-pyrazolo[5,1-a]isoquinoline
  参考文献：
  名称：

  Synthesis of H-Pyrazolo[5,1-a]isoquinolines via Copper(II)-Catalyzed Oxidation of an Aliphatic C−H Bond of Tertiary Amine in Air

  摘要：

  A multicomponent reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and tertiary amine is discovered, which generates the unexpected H-pyrazolo[5,1-a]isoquinolines in good yields under mild conditions. In the reaction process, silver(I)-catalyzed intramolecular cyclization and copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air are involved.

  DOI：

  10.1021/ol102939r

文献信息

• Synthesis of <i>H</i>-Pyrazolo[5,1-<i>a</i>]isoquinolines via Copper(II)-Catalyzed Oxidation of an Aliphatic C−H Bond of Tertiary Amine in Air
  作者：Shaoyu Li、Jie Wu

  DOI：10.1021/ol102939r

  日期：2011.2.18

  A multicomponent reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and tertiary amine is discovered, which generates the unexpected H-pyrazolo[5,1-a]isoquinolines in good yields under mild conditions. In the reaction process, silver(I)-catalyzed intramolecular cyclization and copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air are involved.