3,4,5,6-tetrahydro-2H-1,2-diazepine-3-carbonitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,4,5,6-tetrahydro-2H-1,2-diazepine-3-carbonitrile
• 英文别名: 4,5,6,7-tetrahydro-1H-diazepine-7-carbonitrile
• 化学式: C₆H₉N₃
• 分子量: 123.158
• InChiKey: XIGRSVCHMSEDCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  48.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲酰腈 、 5,6-dihydro-4H-1,2-diazepine 以 甲醇 为溶剂， 以93%的产率得到3,4,5,6-tetrahydro-2H-1,2-diazepine-3-carbonitrile
  参考文献：
  名称：

  Monohydrocyanation of Symmetrical Azines Using Potassium Hexacyanoferrate(II) as an Environmentally Friendly Cyanide Source

  摘要：

  The monohydrocyanation of symmetrical azines to synthesize -hydrazinonitriles using potassium hexacyanoferrate(II) as cyanide source and benzoyl chloride as a promoter under catalyst-free conditions is described. The advantages of this protocol are the environmentally friendly cyanide source, high yield, and simple work-up procedure.

  DOI：

  10.1055/s-0033-1339133

文献信息

• Monohydrocyanation of Symmetrical Azines Using Potassium Hexacyanoferrate(II) as an Environmentally Friendly Cyanide Source
  作者：Zheng Li、Xiaochun Hu、Hongbo Li、Jingya Yang

  DOI：10.1055/s-0033-1339133

  日期：——

  The monohydrocyanation of symmetrical azines to synthesize -hydrazinonitriles using potassium hexacyanoferrate(II) as cyanide source and benzoyl chloride as a promoter under catalyst-free conditions is described. The advantages of this protocol are the environmentally friendly cyanide source, high yield, and simple work-up procedure.