ethyl 3-isobutyl-2-methyl-4-oxo-3,11b-dihydro-4H-pyrimido[6,1-a]isoquinoline-1-carboxylate | 1246221-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: ethyl 3-isobutyl-2-methyl-4-oxo-3,11b-dihydro-4H-pyrimido[6,1-a]isoquinoline-1-carboxylate
• CAS: 1246221-78-2
• 化学式: C₂₀H₂₄N₂O₃
• 分子量: 340.422
• InChiKey: XGORZPPUSSLVOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  异喹啉 、 β-(Isobutylamino)crotonsaeureethylester 、 氯甲酸三氯甲酯 以 二氯甲烷 为溶剂， 反应 3.25h， 以0.29 g的产率得到ethyl 3-isobutyl-2-methyl-4-oxo-3,11b-dihydro-4H-pyrimido[6,1-a]isoquinoline-1-carboxylate
  参考文献：
  名称：

  Synthesis of pyrimido[6,1-a]isoquinolines via a one-pot, four-component reaction

  摘要：

  An efficient one-pot synthesis of pyrimido[6,1-a]isoquinoline-1-carboxylate derivatives is described. This involves the four-component reaction between primary amines, alkyl acetoacetates, isoquinoline and trichloromethylchloroformate (diphosgene) under mild conditions at ambient temperature. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.033

文献信息

• Synthesis of pyrimido[6,1-a]isoquinolines via a one-pot, four-component reaction
  作者：Abdolali Alizadeh、Atieh Rezvanian、Log-Guan Zhu

  DOI：10.1016/j.tet.2010.06.033

  日期：2010.8

  An efficient one-pot synthesis of pyrimido[6,1-a]isoquinoline-1-carboxylate derivatives is described. This involves the four-component reaction between primary amines, alkyl acetoacetates, isoquinoline and trichloromethylchloroformate (diphosgene) under mild conditions at ambient temperature. (C) 2010 Elsevier Ltd. All rights reserved.