9-chloro-1-(methoxy(p-tolyl)methyl)-5-phenylpyrazolo[5,1-a]isoquinoline | 1251833-04-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 9-chloro-1-(methoxy(p-tolyl)methyl)-5-phenylpyrazolo[5,1-a]isoquinoline
• 英文别名: 9-Chloro-1-[methoxy-(4-methylphenyl)methyl]-5-phenylpyrazolo[5,1-a]isoquinoline
• CAS: 1251833-04-1
• 化学式: C₂₆H₂₁ClN₂O
• 分子量: 412.919
• InChiKey: SBHSKTKUZXWIGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  甲醇 、 对甲基肉桂醛 、 (7-chloro-3-phenylisoquinolin-2-ium-2-yl)(tosyl)amide 在 potassium hydroxide 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 9-chloro-1-(methoxy(p-tolyl)methyl)-5-phenylpyrazolo[5,1-a]isoquinoline
  参考文献：
  名称：

  Efficient Generation of Biologically Active H-Pyrazolo[5,1-a]isoquinolines via Multicomponent Reaction

  摘要：

  A highly efficient multicomponent reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, alcohol, and alpha,beta-unsaturated aldehyde or ketone is disclosed, which generates the diverse H-pyrazolo[5,1-a]isoquinolines in good yields. This reaction proceeds with good functional group tolerance under mild conditions with high efficiency and excellent selectivity. Preliminary biological assays show that some of these compounds display promising activities as CDC25B inhibitor, TC-PTP inhibitor, and PTP1B inhibitor.

  DOI：

  10.1021/ol101988q

文献信息

• Efficient Generation of Biologically Active <i>H</i>-Pyrazolo[5,1-<i>a</i>]isoquinolines via Multicomponent Reaction
  作者：Zhiyuan Chen、Jie Wu

  DOI：10.1021/ol101988q

  日期：2010.11.5

  A highly efficient multicomponent reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, alcohol, and alpha,beta-unsaturated aldehyde or ketone is disclosed, which generates the diverse H-pyrazolo[5,1-a]isoquinolines in good yields. This reaction proceeds with good functional group tolerance under mild conditions with high efficiency and excellent selectivity. Preliminary biological assays show that some of these compounds display promising activities as CDC25B inhibitor, TC-PTP inhibitor, and PTP1B inhibitor.