2,3-dihydro-2-methyl-6-nitro-1H-1,4-diazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮卓类
• 英文名称: 2,3-dihydro-2-methyl-6-nitro-1H-1,4-diazepine
• 英文别名: 2-methyl-6-nitro-2,3-dihydro-1H-1,4-diazepine
• 化学式: C₆H₉N₃O₂
• 分子量: 155.156
• InChiKey: XBKRSRJGXDJKHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,2-丙二胺 、 3-tert-butylamino-2-nitro-2-propenal 以 甲醇 为溶剂， 反应 2.0h， 以69%的产率得到2,3-dihydro-2-methyl-6-nitro-1H-1,4-diazepine
  参考文献：
  名称：

  A New Approach to 6-Nitro-1H-[1,4]-diazepines

  摘要：

  DOI：

  10.3987/com-02-9438

文献信息

• A New Approach to 6-Nitro-1H-[1,4]-diazepines
  作者：Masahiro Ariga、Nagatoshi Nishiwaki、Takuma Ogihara、Mina Tamura、Noriko Asaka、Kazushige Hori、Yasuo Tohda

  DOI：10.3987/com-02-9438

  日期：——
• New Synthetic Equivalent of Nitromalonaldehyde Treatable in Organic Media
  作者：Nagatoshi Nishiwaki、Takuma Ogihara、Toshiko Takami、Mina Tamura、Masahiro Ariga

  DOI：10.1021/jo0488513

  日期：2004.11.1

  beta-Nitroenamines having a formyl group at the beta-position behave as the synthetic equivalent of unstable nitromalonaldehyde, which is a useful synthon for syntheses of versatile nitro compounds. High solubility of the nitroenamines into general organic solvents enables us to conduct reactions in the organic media accompanied by easy experimental manipulations and considerable safety. When nitroenamines are treated with 1,2-bifunctional nucleophiles such as hydrazines, hydroxylamine and glycine ester, nitrated pyrazoles, isoxazole and pyrrole-2-carboxylate were readily prepared. This methodology was also applicable to guanidines and 1,2-diamines, leading to pyrimidines and 1,4-diazepines, respectively.