3-ethoxycarbonyl-5-isopropyl-2-(n-propylamino)naphtho[3,2,1-de]isoquinoline-4,7-dione | 1048645-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-ethoxycarbonyl-5-isopropyl-2-(n-propylamino)naphtho[3,2,1-de]isoquinoline-4,7-dione
• 英文别名: Ethyl 8,12-dioxo-11-propan-2-yl-15-(propylamino)-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,13(17),14-heptaene-14-carboxylate
• CAS: 1048645-09-5
• 化学式: C₂₅H₂₆N₂O₄
• 分子量: 418.492
• InChiKey: UVVVUNHBFRELQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-isopropylbenzo[g]isoquinoline-3,5,10(2H)-trione 、 ethyl (Z)-3-(propylamino)but-2-enoate 以 乙醇 为溶剂， 128.0 ℃ 、1.9 MPa 条件下， 反应 3.0h， 以42%的产率得到3-ethoxycarbonyl-5-isopropyl-2-(n-propylamino)naphtho[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