8-bromo-10-oxo-10,11,16,16a-tetrahydro-5H-5a,10a-diazadibenzo[a,e]pleiaden-5a-ium bromide | 1132819-46-5

• 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: 8-bromo-10-oxo-10,11,16,16a-tetrahydro-5H-5a,10a-diazadibenzo[a,e]pleiaden-5a-ium bromide
• CAS: 1132819-46-5
• 化学式: Br*C₂₄H₁₈BrN₂O
• 分子量: 510.228
• InChiKey: GQOVEXKKHOQFQG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  29.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  25.88
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  8-bromo-10-oxo-10,11,16,16a-tetrahydro-5H-5a,10a-diazadibenzo[a,e]pleiaden-5a-ium bromide 、 三乙胺 以71%的产率得到8-bromo-11,16-dihydro-5H,10H-5a,10a-diazadibenzo[a,e]pleiaden-10-one
  参考文献：
  名称：

  缩合异喹啉28 *。10a，15b-二氮杂二苯并[a，e] -pleiaden-11-ones的合成及性能

  摘要：

  The reaction of 7,12-dihydro-5H-isoquino[2,3-a]quinazolin-5-ones with o-xylidene dibromide leads to 11-oxo-4bH,5H,10H,11H,16H-10a-aza-15b-azoniadibenzo[a,e]pleiadene bromides, which are converted to 11-oxo-10H,11H,16H-10a-aza-15b-azoniadibenzo[a,e]pleiadene salts upon oxidation using nitrobenzene. The reaction of these salts with benzylamine leads to 6-{2-[(benzylimino)methyl]phenyl}-7,12-dihydroisoquino[3,2-b][2]benzazepin-14(6H)-ones, which recyclize to 11-oxo-5H,10H,11H-10a-aza-15b-azoniadibenzo[a,e]pleiadene perchlorates upon the action of perchloric acid. The reactions of the 10a,15b-diazadibenzo[a,e]pleiadene salts obtained with NaBH4 were studied and the structures of the reduction products were determined by spectral methods.

  DOI：

  10.1007/s10593-008-0025-5
• 作为产物：
  描述：

  3-Bromo-7,12-dihydroisoquinolino[2,3-a]quinazolin-5-one 、 1,2-二(溴甲基)苯 反应 1.5h， 以70%的产率得到8-bromo-10-oxo-10,11,16,16a-tetrahydro-5H-5a,10a-diazadibenzo[a,e]pleiaden-5a-ium bromide
  参考文献：
  名称：

  缩合异喹啉28 *。10a，15b-二氮杂二苯并[a，e] -pleiaden-11-ones的合成及性能

  摘要：

  The reaction of 7,12-dihydro-5H-isoquino[2,3-a]quinazolin-5-ones with o-xylidene dibromide leads to 11-oxo-4bH,5H,10H,11H,16H-10a-aza-15b-azoniadibenzo[a,e]pleiadene bromides, which are converted to 11-oxo-10H,11H,16H-10a-aza-15b-azoniadibenzo[a,e]pleiadene salts upon oxidation using nitrobenzene. The reaction of these salts with benzylamine leads to 6-{2-[(benzylimino)methyl]phenyl}-7,12-dihydroisoquino[3,2-b][2]benzazepin-14(6H)-ones, which recyclize to 11-oxo-5H,10H,11H-10a-aza-15b-azoniadibenzo[a,e]pleiadene perchlorates upon the action of perchloric acid. The reactions of the 10a,15b-diazadibenzo[a,e]pleiadene salts obtained with NaBH4 were studied and the structures of the reduction products were determined by spectral methods.

  DOI：

  10.1007/s10593-008-0025-5