N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine | 84762-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
• CAS: 84762-61-8
• 化学式: C₁₇H₁₂N₄O
• 分子量: 288.308
• InChiKey: SINOSSINPUUMEM-UHFFFAOYSA-N

物化性质

• 熔点：
  132-134 °C(Solv: ethanol (64-17-5))
• 沸点：
  488.8±45.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine 在 sodium tetrahydroborate 、 乙醇 作用下， 生成 N-phenyl-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine
  参考文献：
  名称：

  Microwave-assisted three component one-pot synthesis of pyrimido-oxazepines

  摘要：

  A synthetic approach toward pyrimido-oxazepine analogs was developed through the use of microwave heating. Certain analogs can be made in one step, which make this a valuable tool in the investigation of this therapeutically relevant scaffold. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.058
• 作为产物：
  描述：

  6-氯-N4-苯基-4,5-嘧啶二胺 、 水杨醛 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以60%的产率得到N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
  参考文献：
  名称：

  A study of nitrogen- and oxygen-containing heterocycles. 42. Pyrimido[4,5-b]- and pyrido[2,3-b]-1,4-benzoxazepines

  摘要：

  DOI：

  10.1007/bf00505911

文献信息

• LEVKOVSKAYA, L. G.;SAZONOV, N. V.;GRINEVA, N. A.;MAMAEVA, I. E.;SEROCHKIN+, XIMIYA GETEROTSIKL. SOEDIN., 1985, N 1, 122-125
  作者：LEVKOVSKAYA, L. G.、SAZONOV, N. V.、GRINEVA, N. A.、MAMAEVA, I. E.、SEROCHKIN+

  DOI：——

  日期：——
• [EN] EGFR TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE EGFR
  申请人：IMCLONE SYSTEMS INC

  公开号：WO2005009384A2

  公开（公告）日：2005-02-03

  The invention encompasses compounds that inhibit, modulate, or regulate kinases, compositions that contain kinase inhibiting compounds, and methods of treating kinase-dependent diseases and conditions in subjects in need of such treatment. Also, the invention encompasses methods of making compounds that inhibit, modulate or regulate kinases.
• A study of nitrogen- and oxygen-containing heterocycles. 42. Pyrimido[4,5-b]- and pyrido[2,3-b]-1,4-benzoxazepines
  作者：L. G. Levkovskaya、N. V. Sazonov、N. A. Grineva、I. E. Mamaeva、L. A. Serochkina、T. S. Safonova

  DOI：10.1007/bf00505911

  日期：1985.1
• Microwave-assisted three component one-pot synthesis of pyrimido-oxazepines
  作者：Colleen Hudson、V. Srinivasa Murthy、Kimberly G. Estep、Gary Gustafson

  DOI：10.1016/j.tetlet.2006.12.058

  日期：2007.2

  A synthetic approach toward pyrimido-oxazepine analogs was developed through the use of microwave heating. Certain analogs can be made in one step, which make this a valuable tool in the investigation of this therapeutically relevant scaffold. (c) 2007 Elsevier Ltd. All rights reserved.