3-[(5-氨基-6-氯嘧啶-4-基)氨基]苯甲腈 | 833450-89-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-[(5-氨基-6-氯嘧啶-4-基)氨基]苯甲腈
• 英文名称: 3-[(5-Amino-6-chloropyrimidin-4-yl)amino]benzonitrile
• CAS: 833450-89-8
• 化学式: C₁₁H₈ClN₅
• 分子量: 245.671
• InChiKey: WSGHRCSSNTZWOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[(5-氨基-6-氯嘧啶-4-基)氨基]苯甲腈 在 sodium tetrahydroborate 、 乙醇 、 caesium carbonate 作用下， 以 异丙醇 为溶剂， 生成 3-[(8-Methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzonitrile
  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：

  4,6-二氯-5-氨基嘧啶 、 间氨基苯甲腈 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 3-[(5-氨基-6-氯嘧啶-4-基)氨基]苯甲腈
  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

文献信息

• [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.
• 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.