2-(1,3-benzodioxol-5-yl)-3-(4-isopropylphenyl)-2,3-dihydro-4(1H)-quinazolinone | 312514-83-3

• 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-(1,3-benzodioxol-5-yl)-3-(4-isopropylphenyl)-2,3-dihydro-4(1H)-quinazolinone
• 英文别名: 2-(1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
• CAS: 312514-83-3
• 化学式: C₂₄H₂₂N₂O₃
• 分子量: 386.45
• InChiKey: PPPWYHXTDUKEEP-UHFFFAOYSA-N

物化性质

• 熔点：
  210-212 °C(Solv: ethanol (64-17-5))
• 沸点：
  583.5±50.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  胡椒醛 、 靛红酸酐 、 4-异丙基苯胺 在 ethylenediamine Tetraacetic Acid 作用下， 以 水 为溶剂， 反应 7.0h， 以90%的产率得到2-(1,3-benzodioxol-5-yl)-3-(4-isopropylphenyl)-2,3-dihydro-4(1H)-quinazolinone
  参考文献：
  名称：

  Ethylenediamine diacetate-catalyzed three-component reaction for the synthesis of 2,3-dihydroquinazolin-4(1H)-ones and their spirooxindole derivatives

  摘要：

  Ethylenediamine diacetate (EDDA)-catalyzed one-pot syntheses of biologically interesting 2,3-dihydroquinazolin-4(1H)-ones and their spirooxindole derivatives from isatoic anhydride, amines, and benzaldehydes or isatins via a three-component condensation in aqueous media have been described. This method is of great value because of high yields and ease of handling. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.018

文献信息

• Ethylenediamine diacetate-catalyzed three-component reaction for the synthesis of 2,3-dihydroquinazolin-4(1H)-ones and their spirooxindole derivatives
  作者：Manchala Narasimhulu、Yong Rok Lee

  DOI：10.1016/j.tet.2011.08.018

  日期：2011.12

  Ethylenediamine diacetate (EDDA)-catalyzed one-pot syntheses of biologically interesting 2,3-dihydroquinazolin-4(1H)-ones and their spirooxindole derivatives from isatoic anhydride, amines, and benzaldehydes or isatins via a three-component condensation in aqueous media have been described. This method is of great value because of high yields and ease of handling. (C) 2011 Elsevier Ltd. All rights reserved.