12-(4-bromophenyl)-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-pyrano[4,3-b][4,7]phenanthrolin-11-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 12-(4-bromophenyl)-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-pyrano[4,3-b][4,7]phenanthrolin-11-one
• 英文别名: 12-(4-bromophenyl)spiro[8,12-dihydro-7H-pyrano[3,4-b][4,7]phenanthroline-9,1'-cyclooctane]-11-one
• 化学式: C₂₈H₂₇BrN₂O₂
• 分子量: 503.439
• InChiKey: CVZUKODJKRGZLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-氧杂螺[5.7]十三烷-2,4-二酮 以 乙醇 、 正丁醇 为溶剂， 反应 2.5h， 生成 12-(4-bromophenyl)-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-pyrano[4,3-b][4,7]phenanthrolin-11-one
  参考文献：
  名称：

  6,6-Heptamethylenetetrahydropyran-2,4-dione in the Synthesis of Benzo[f]pyrano[3,4-b]quinolines and Pyrano[4,3-b][4,7]phenanthrolines

  摘要：

  Three-component condensation of 6,6-heptamethylenetetrahydropyran-2,4-dione with 2-aminonaphthalene or 6-aminoquinoline and aromatic aldehydes in an aliphatic alcohol afforded 12-aryl-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-benzo[f]pyrano[3,4-b]quinolin- 11-ones and 12-aryl-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-pyrano[4,3-b][4,7]phenanthrolin-11-ones, new N,O-heterocycles which include aza- or diazaphenanthrene system fused to a-pyrone ring and aromatic and spiro substituents.

  DOI：

  10.1023/b:rujo.0000036079.00169.3b

文献信息

• 6,6-Heptamethylenetetrahydropyran-2,4-dione in the Synthesis of Benzo[f]pyrano[3,4-b]quinolines and Pyrano[4,3-b][4,7]phenanthrolines
  作者：N. G. Kozlov、F. S. Pashkovskii、K. N. Gusak、E. V. Koroleva、A. B. Tereshko、I. P. Lokot’

  DOI：10.1023/b:rujo.0000036079.00169.3b

  日期：2004.4

  Three-component condensation of 6,6-heptamethylenetetrahydropyran-2,4-dione with 2-aminonaphthalene or 6-aminoquinoline and aromatic aldehydes in an aliphatic alcohol afforded 12-aryl-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-benzo[f]pyrano[3,4-b]quinolin- 11-ones and 12-aryl-9,9-heptamethylene-8,9,10,12-tetrahydro-7H-pyrano[4,3-b][4,7]phenanthrolin-11-ones, new N,O-heterocycles which include aza- or diazaphenanthrene system fused to a-pyrone ring and aromatic and spiro substituents.