6,11-dimethoxy-2-propyl-2,3,12,12a-tetrahydro-5H-2,4a-diazanaphthacene-1,4-dione | 1609636-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 6,11-dimethoxy-2-propyl-2,3,12,12a-tetrahydro-5H-2,4a-diazanaphthacene-1,4-dione
• 英文别名: 11,18-Dimethoxy-6-propyl-3,6-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),10,12,14,16-pentaene-4,7-dione；11,18-dimethoxy-6-propyl-3,6-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),10,12,14,16-pentaene-4,7-dione
• CAS: 1609636-78-3
• 化学式: C₂₁H₂₄N₂O₄
• 分子量: 368.433
• InChiKey: ARPVDMDQQPNCMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-bis(bromomethyl)-1,4-dimethoxynaphthalene 在 四丁基硫酸氢铵 、 三乙胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 27.0h， 生成 6,11-dimethoxy-2-propyl-2,3,12,12a-tetrahydro-5H-2,4a-diazanaphthacene-1,4-dione
  参考文献：
  名称：

  Synthesis of Hexahydropyrazino[1,2-b]isoquinolines as Simplified Saframycin Analogues

  摘要：

  Various hexahydropyrazino[1,2-b]isoquinolines were synthesised as simplified saframycin analogues. Construction of this core proceeded through a tetrahydroisoquinoline synthesis followed by acylation/alkylation of the tetrahydroisoquinoline nitrogen and subsequent ring closure using various aliphatic and aromatic amines. The resulting piperazinones were reacted with LiAlH4 or LiAlH(OEt)(3) to synthesise further analogues.

  DOI：

  10.1055/s-0033-1340070

文献信息

• Synthesis of Hexahydropyrazino[1,2-b]isoquinolines as Simplified Saframycin Analogues
  作者：Norbert De Kimpe、Tuyen Nguyen Van、Pieter Claes

  DOI：10.1055/s-0033-1340070

  日期：——

  Various hexahydropyrazino[1,2-b]isoquinolines were synthesised as simplified saframycin analogues. Construction of this core proceeded through a tetrahydroisoquinoline synthesis followed by acylation/alkylation of the tetrahydroisoquinoline nitrogen and subsequent ring closure using various aliphatic and aromatic amines. The resulting piperazinones were reacted with LiAlH4 or LiAlH(OEt)(3) to synthesise further analogues.