2-Pentylmercapto-3-benzyl-4(3H)-chinazolinon | 25467-53-2

• 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: 2-Pentylmercapto-3-benzyl-4(3H)-chinazolinon
• 英文别名: 3-benzyl-2-pentylsulfanyl-3H-quinazolin-4-one；3-benzyl-2-(pentylsulfanyl)quinazolin-4(3H)-one；3-benzyl-2-pentylsulfanylquinazolin-4-one
• CAS: 25467-53-2
• 化学式: C₂₀H₂₂N₂OS
• 分子量: 338.473
• InChiKey: VVXVTUAZENLWCC-UHFFFAOYSA-N

物化性质

• 沸点：
  504.2±43.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻氨基苯甲酸甲酯 在 P-BEMP 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 104.0h， 生成 2-Pentylmercapto-3-benzyl-4(3H)-chinazolinon
  参考文献：
  名称：

  A convenient ‘catch and release’ synthesis of fused 2-alkylthio-pyrimidinones mediated by polymer-bound BEMP

  摘要：

  A robust 'catch and release' synthesis of fused 2-alkylthio-3-substituted-pyrimidinones mediated by the polymer-bound base P-BEMP is described. This reengineered synthesis combines the efficiency of the classical synthesis (three steps, three diversity points) with the practical benefits of resin-bound reagents. The solution-phase strategy, reagent compatibility, and the results of a representative 48-member combinatorial library are described and presented herein. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01188-2

文献信息

• A convenient ‘catch and release’ synthesis of fused 2-alkylthio-pyrimidinones mediated by polymer-bound BEMP
  作者：Gregory L Adams、Todd L Graybill、Robert M Sanchez、Victoria W Magaard、George Burton、Ralph A Rivero

  DOI：10.1016/s0040-4039(03)01188-2

  日期：2003.6

  A robust 'catch and release' synthesis of fused 2-alkylthio-3-substituted-pyrimidinones mediated by the polymer-bound base P-BEMP is described. This reengineered synthesis combines the efficiency of the classical synthesis (three steps, three diversity points) with the practical benefits of resin-bound reagents. The solution-phase strategy, reagent compatibility, and the results of a representative 48-member combinatorial library are described and presented herein. (C) 2003 Elsevier Science Ltd. All rights reserved.