4-(2-(3-phenylisoquinolin-1-ylthio)acetyl)benzonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-(3-phenylisoquinolin-1-ylthio)acetyl)benzonitrile
• 英文别名: 4-[2-(3-Phenylisoquinolin-1-yl)sulfanylacetyl]benzonitrile
• 化学式: C₂₄H₁₆N₂OS
• 分子量: 380.47
• InChiKey: PBGJELNPDCTKGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  79
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-4'-氰基苯乙酮 、 3-phenylisoquinolin-1(2H)-thione 以 乙醇 为溶剂， 反应 2.0h， 以79%的产率得到4-(2-(3-phenylisoquinolin-1-ylthio)acetyl)benzonitrile
  参考文献：
  名称：

  Synthesis of Diversified Thioethers, 1-Aroylalkylisoquinolin-1-yl Thioethers, by Electrophilic S-Alkylation of 3-Phenyl Isoquinoline-1(2H)-thione

  摘要：

  A mild and efficient method for the synthesis of thioethers has been developed. The 3-phenylisoquinoline-1(2H)-thione underwent S-alkylation to afford structurally diverse sulfides in high yield.

  DOI：

  10.1080/10426500903383945

文献信息

• Synthesis of Diversified Thioethers, 1-Aroylalkylisoquinolin-1-yl Thioethers, by Electrophilic S-Alkylation of 3-Phenyl Isoquinoline-1(2H)-thione
  作者：P. Manivel、F. Nawaz Khan、Venkatesha R. Hatwar

  DOI：10.1080/10426500903383945

  日期：2010.8.25

  A mild and efficient method for the synthesis of thioethers has been developed. The 3-phenylisoquinoline-1(2H)-thione underwent S-alkylation to afford structurally diverse sulfides in high yield.