5-n-butyl-2-(ethylamino)-3-methoxycarbonyl-1-methylnaphtho[3,2,1-de]isoquinoline-4,7-dione | 1048645-12-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-n-butyl-2-(ethylamino)-3-methoxycarbonyl-1-methylnaphtho[3,2,1-de]isoquinoline-4,7-dione
• CAS: 1048645-12-0
• 化学式: C₂₅H₂₆N₂O₄
• 分子量: 418.492
• InChiKey: OGNAUPMKFUSAQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  77.4
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-n-butylbenzo[g]isoquinoline-3,5,10(2H)-trione 、 methyl 3-(ethylamino)pent-2-enoate 以 乙醇 为溶剂， 128.0 ℃ 、1.9 MPa 条件下， 反应 3.0h， 以33%的产率得到5-n-butyl-2-(ethylamino)-3-methoxycarbonyl-1-methylnaphtho[3,2,1-de]isoquinoline-4,7-dione
  参考文献：
  名称：

  First straightforward synthesis of 2,4-disubstituted benz[g]isoquinoline-3,5,10(2H)-triones, 1,2,3,5-substituted naphtho[3,2,1-de]isoquinoline-4,7-diones, and 6-substituted benzo[h]pyrido[3,4,5-kl]-1,2,3,4-tetrahydroacridine-5,8-diones

  摘要：

  Structural modifications to the benz[g]isoquinoline skeleton of N-substituted benz[g]isoquinoline-3,5,10(2H)-triones were envisaged in order to make future SAR studies possible for this type of bioactive compounds. Several N-substituted benz[g]isoquinoline-3,5,10(2H)-triones were converted to novel 2,4-substituted benz[g]isoquinoline-3,5,10(2H)-tiiones, new tetracyclic 1,2,3,5-substituted naphtho[3,2,1-de]isoquinoline-4,7-diones, and 6-substituted benzo[h]pyrido[3,4,5-kl]-1,2,3,4-tetrahydroacridine-5,8-diones. All the synthesized target compounds represent new heterocyclic systems, which were previously undescribed in the literature. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.111