6H-azepino<2,1-b>benzo(g)quinazolin-14-one | 117663-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 6H-azepino<2,1-b>benzo(g)quinazolin-14-one
• 英文别名: 5H-azepino<2,1-b>benzoquinazolin-13-one；2,9-diazatetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,5,7,11,13,15,17-octaen-10-one
• CAS: 117663-73-7
• 化学式: C₁₇H₁₂N₂O
• 分子量: 260.295
• InChiKey: LDZMAGZFRNKVES-UHFFFAOYSA-N

物化性质

• 熔点：
  178-179 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  482.5±38.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  34.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-n-butoxy-3H-azepine 、 3-氨基-2-萘甲酸 反应 1.0h， 以78%的产率得到6H-azepino<2,1-b>benzo(g)quinazolin-14-one
  参考文献：
  名称：

  Reactions of 2-dialkylamino-3H-azepines with oxidants and electrophiles

  摘要：

  DOI：

  10.1016/s0040-4020(01)85964-0

文献信息

• 3H-azepines and related systems. Part 4. Preparation of 3H-azepin-2-ones and 6H-azepino[2,1-b]quinazolin-12-ones by photo-induced ring expansions of aryl azides
  作者：Kaddour Lamara、Robert K. Smalley

  DOI：10.1016/s0040-4020(01)96138-1

  日期：——

  Photolysis of a series of p-substituted phenyl azides (p-X-C6H4N3; X = CO2Me, CO2Et, CN, CF3, SO2NH2, CO2CHPh2, COMe, CHO, and NO2) in 1:1 (nu/nu) THF-water solution produces, in the majority of cases, a 5-substituted-3H-azepine-2-one. In a like manner, 3H-azepin-2-one-3-carboxylates can be prepared from 5-substituted-2-azidobenzoates, providing the 5-substituent is electron-withdrawing.3H-Azepin-2-one mono- and di-carboxylic acids, the former in admixture with decarboxylated material, and 6H-azepino[2,1-b]quinazolin-12-ones, are obtained by irradiation of 2-azidobenzoic acid and of 5-azidoisophthalic acid, respectively. The mode of formation of the azepino-quinazolinones is discussed.
• BATORI, SANDOR;GOMPPER, RUDOLF;MEIER, JOSEF;WAGNER, HANS-ULRICH, TETRAHEDRON, 44,(1988) N 11, 3309-3318
  作者：BATORI, SANDOR、GOMPPER, RUDOLF、MEIER, JOSEF、WAGNER, HANS-ULRICH

  DOI：——

  日期：——