2-{2-[(benzylimino)methyl]benzyl}-3-methyl-4-(3H)-quinazolinone | 170650-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-{2-[(benzylimino)methyl]benzyl}-3-methyl-4-(3H)-quinazolinone
• 英文别名: 2-{2-[(Benzylimino)-methyl]benzyl}-3-methyl-4-(3h)-quinazolinone；2-[[2-(benzyliminomethyl)phenyl]methyl]-3-methylquinazolin-4-one
• CAS: 170650-52-9
• 化学式: C₂₄H₂₁N₃O
• 分子量: 367.45
• InChiKey: MAKSXSXZTOZWKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  45
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苄胺 、 6-methyl-5-oxo-5,6-dihydroisoquino[2,3-a]quinazolin-13-ium perchlorate 生成 2-{2-[(benzylimino)methyl]benzyl}-3-methyl-4-(3H)-quinazolinone
  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

文献信息

• Condensed isoquinolines 28*. Synthesis and properties of 10a,15b-diazadibenzo[a,e]-pleiaden-11-ones
  作者：V. M. Kisil、L. M. Potikha、A. V. Turov、V. A. Kovtunenko

  DOI：10.1007/s10593-008-0025-5

  日期：2008.2

  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.