(4Z)-7-chloro-2-methyl-4-[(4-methylphenyl)methylidene]-1H-isoquinolin-3-one | 1226868-86-5

• 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: (4Z)-7-chloro-2-methyl-4-[(4-methylphenyl)methylidene]-1H-isoquinolin-3-one
• CAS: 1226868-86-5
• 化学式: C₁₈H₁₆ClNO
• 分子量: 297.784
• InChiKey: SFPCSJBHKSVMJE-MFOYZWKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-(2-bromo-5-chlorobenzyl)-N-methyl-3-(p-tolyl)propiolamide 在 四(三苯基膦)钯 、 水 、 sodium formate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72%的产率得到(4Z)-7-chloro-2-methyl-4-[(4-methylphenyl)methylidene]-1H-isoquinolin-3-one
  参考文献：
  名称：

  Synthesis and Antitumor Evaluation of a Novel Class of 4-Substituted-1,4-Dihydroisoquinolin-3-ones

  摘要：

  An efficient method for the solution-phase parallel synthesis of 4-substituted-1,4-dihydroisoquinolin-3-ones is developed. The isoquinolinones were constructed employing an intramolecular Heck reaction, providing full regio- and stereoselectivity. Most of the synthesized compounds showed potent antiproliferative activities against tumor cell lines.

  DOI：

  10.1021/cc100021t

文献信息

• Synthesis and Antitumor Evaluation of a Novel Class of 4-Substituted-1,4-Dihydroisoquinolin-3-ones
  作者：Ting Ma、Wenteng Chen、Guolin Zhang、Yongping Yu

  DOI：10.1021/cc100021t

  日期：2010.7.12

  An efficient method for the solution-phase parallel synthesis of 4-substituted-1,4-dihydroisoquinolin-3-ones is developed. The isoquinolinones were constructed employing an intramolecular Heck reaction, providing full regio- and stereoselectivity. Most of the synthesized compounds showed potent antiproliferative activities against tumor cell lines.