4-hydroxy-6-methyl-3-[2-(2,4,4-trimethylpentan-2-yliminomethyl)-1H-isoquinolin-1-yl]pyran-2-one | 1013099-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 4-hydroxy-6-methyl-3-[2-(2,4,4-trimethylpentan-2-yliminomethyl)-1H-isoquinolin-1-yl]pyran-2-one
• CAS: 1013099-25-6
• 化学式: C₂₄H₃₀N₂O₃
• 分子量: 394.514
• InChiKey: YBWFSDVKHDYHAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异喹啉 、 4-羟基-6-甲基-2-吡喃酮 、 1,1,3,3-四甲基丁基异腈 以 水 为溶剂， 反应 12.0h， 以59%的产率得到4-hydroxy-6-methyl-3-[2-(2,4,4-trimethylpentan-2-yliminomethyl)-1H-isoquinolin-1-yl]pyran-2-one
  参考文献：
  名称：

  A novel three-component reaction for the synthesis of 1,2-dihydroisoquinolines via the reaction of isoquinoline and isocyanides with strong CH-acids in water

  摘要：

  A straightforward and efficient method for the synthesis of 1,2-dihydroisoquinolines via the one-pot, three-component reaction of an isocyanide, isoquinoline and a strong CH-acid in water without using any catalyst at 70 degrees C is reported. The method offers several advantages including high yields of products and an easy work-up procedure. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.11.079

文献信息

• A novel three-component reaction for the synthesis of 1,2-dihydroisoquinolines via the reaction of isoquinoline and isocyanides with strong CH-acids in water
  作者：Ahmad Shaabani、Ebrahim Soleimani、Jafar Moghimi-Rad

  DOI：10.1016/j.tetlet.2007.11.079

  日期：2008.2

  A straightforward and efficient method for the synthesis of 1,2-dihydroisoquinolines via the one-pot, three-component reaction of an isocyanide, isoquinoline and a strong CH-acid in water without using any catalyst at 70 degrees C is reported. The method offers several advantages including high yields of products and an easy work-up procedure. (c) 2007 Published by Elsevier Ltd.