6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-1H[1]benzofuro[2,3-c]azepin-1-one | 521937-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-1H[1]benzofuro[2,3-c]azepin-1-one
• 英文别名: 6,8-dibromo-7-oxybenzofuro[2,3-c]azepine-1-one；6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c]azepin-1-one；6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one
• CAS: 521937-08-6
• 化学式: C₁₂H₉Br₂NO₃
• mdl: MFCD03828153
• 分子量: 375.016
• InChiKey: AJBFRFDRURUSAE-UHFFFAOYSA-N

物化性质

• 熔点：
  230-232 °C(Solv: ethanol (64-17-5))
• 沸点：
  530.8±50.0 °C(Predicted)
• 密度：
  1.930±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,6-二溴对苯醌 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 6,8-dibromo-7-hydroxy-2,3,4,5-tetrahydro-1H[1]benzofuro[2,3-c]azepin-1-one
  参考文献：
  名称：

  摘要：

  alpha-Oxolactam enamines, namely, 3-piperidino-5,6-dihydropyridin-2(1H)-one (1a) and 3-piperidino-1,5,6,7-tetrahvdroazepin-2-one (1b), were introduced for the first time into the Nenitzescu reaction. The processes yield cyclic adducts 3a-e, 6. On heating in acetic acid, they are transformed into benzofuropyridone 7 and benzofuroazepinones 10a,d, and 12 and, unexpectedly, into chromenopyrrole 8 and chromenopyridines 9a-d and 11.

  DOI：

  10.1023/a:1021308719984

文献信息

• Lyubchanskaya, Valeria M.; Alekseeva, Lyudmila M.; Savina, Svetlana A., Mendeleev Communications, 2002, vol. 12, # 1, p. 15 - 17
  作者：Lyubchanskaya, Valeria M.、Alekseeva, Lyudmila M.、Savina, Svetlana A.、Shashkov, Alexander S.、Granik, Vladimir G.

  DOI：——

  日期：——
• ——
  作者：V. M. Lyubchanskaya、L. M. Alekseeva、S. A. Savina、A. S. Shashkov、V. G. Granik

  DOI：10.1023/a:1021308719984

  日期：——

  alpha-Oxolactam enamines, namely, 3-piperidino-5,6-dihydropyridin-2(1H)-one (1a) and 3-piperidino-1,5,6,7-tetrahvdroazepin-2-one (1b), were introduced for the first time into the Nenitzescu reaction. The processes yield cyclic adducts 3a-e, 6. On heating in acetic acid, they are transformed into benzofuropyridone 7 and benzofuroazepinones 10a,d, and 12 and, unexpectedly, into chromenopyrrole 8 and chromenopyridines 9a-d and 11.