3-[2-[(3-Methoxyphenyl)methylsulfanyl]ethyl]-2-[4-[3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]-1,2-dihydroquinazolin-4-one | 1147093-53-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-[2-[(3-Methoxyphenyl)methylsulfanyl]ethyl]-2-[4-[3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]-1,2-dihydroquinazolin-4-one
• 英文别名: 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-2-[4-[3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]-1,2-dihydroquinazolin-4-one
• CAS: 1147093-53-5
• 化学式: C₄₂H₄₂N₄O₄S₂
• 分子量: 730.952
• InChiKey: QDTCYXKUCOROPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  52
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  喹啉-2,4(1h,3h)-二酮 、 对苯二甲醛 、 2-<<(3-methoxyphenyl)methyl>thio>ethanamine 在 对甲苯磺酸 作用下， 以 水 为溶剂， 反应 3.5h， 以50%的产率得到3-[2-[(3-Methoxyphenyl)methylsulfanyl]ethyl]-2-[4-[3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]-1,2-dihydroquinazolin-4-one
  参考文献：
  名称：

  A new strategy for the synthesis of β-benzylmercaptoethylamine derivatives

  摘要：

  Here, we describe a new experimental approach to the synthesis of the beta-benzylmercaptoethylamine functionality, and illustrate its synthetic utility in multi-component reactions. Although prevalent in modern organic synthesis, no general methods have been described for this functionality. Using a carefully developed LiOH-water-ethanol reaction mixture, we were able to produce a diverse collection of beta-benzylmercaptoethylamines containing a range of sensitive functional groups in excellent yields. To further illustrate their utility in molecular library synthesis, we also report the use of beta-benzylmercaptoethylamines in five different multi-component reactions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.133

文献信息

• A new strategy for the synthesis of β-benzylmercaptoethylamine derivatives
  作者：Subrata Ghosh、Gregory P. Tochtrop

  DOI：10.1016/j.tetlet.2009.01.133

  日期：2009.4

  Here, we describe a new experimental approach to the synthesis of the beta-benzylmercaptoethylamine functionality, and illustrate its synthetic utility in multi-component reactions. Although prevalent in modern organic synthesis, no general methods have been described for this functionality. Using a carefully developed LiOH-water-ethanol reaction mixture, we were able to produce a diverse collection of beta-benzylmercaptoethylamines containing a range of sensitive functional groups in excellent yields. To further illustrate their utility in molecular library synthesis, we also report the use of beta-benzylmercaptoethylamines in five different multi-component reactions. (C) 2009 Elsevier Ltd. All rights reserved.