1-methyl-3,3-bis(N-methylcarbamoyl)diaziridine | 54972-19-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-methyl-3,3-bis(N-methylcarbamoyl)diaziridine
• 英文别名: 1-methyl-diaziridine-3,3-dicarboxylic acid bis-methylamide；3-N,3-N',1-trimethyldiaziridine-3,3-dicarboxamide
• CAS: 54972-19-9；120925-33-9；850670-04-1；850670-06-3
• 化学式: C₆H₁₂N₄O₂
• 分子量: 172.187
• InChiKey: SKLKMUYTQVFNHM-UHFFFAOYSA-N

物化性质

• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  83.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (R)-1-Methyl-diaziridine-3,3-dicarboxylic acid bis-methylamide 以 甲醇 为溶剂， 生成 1-methyl-3,3-bis(N-methylcarbamoyl)diaziridine
  参考文献：
  名称：

  Stereochemistry of 1,2,4,5-tetraazanorbornanes and diaziridines: exciting history and news

  摘要：

  The enantiomers of asymmetric nitrogen compound 1 have been resolved; a chiral formal meso-form of diaziridine 2 has been obtained; a population of 1,2-cis-form 6a in solution has been found; and the crystal structures of 3-6 have been studied.

  DOI：

  10.1070/mc2004v014n06abeh002083

文献信息

• Asymmetric nitrogen 61. Inversion topomerization of diaziridines
  作者：G. V. Shustov、A. Yu. Shibaev、Yu. V. Puzanov、R. G. Kostyanovskii

  DOI：10.1007/bf00961120

  日期：1988.8
• SHUSTOV, G. V.;SHIBAEV, A. YU.;PUZANOV, YU. V.;KOSTYANOVSKIJ, R. G., IZV. AN CCCP. CEP. XIM.,(1988) N 8, 1869-1875
  作者：SHUSTOV, G. V.、SHIBAEV, A. YU.、PUZANOV, YU. V.、KOSTYANOVSKIJ, R. G.

  DOI：——

  日期：——
• Stereochemistry of 1,2,4,5-tetraazanorbornanes and diaziridines: exciting history and news
  作者：Remir G. Kostyanovsky、Oleg R. Malyshev、Konstantin A. Lyssenko、Yuri A. Strelenko、Gulnara K. Kadorkina、Vasily R. Kostyanovsky、Orudzh G. Nabiev、Ivan V. Fedyanin

  DOI：10.1070/mc2004v014n06abeh002083

  日期：2004.1

  The enantiomers of asymmetric nitrogen compound 1 have been resolved; a chiral formal meso-form of diaziridine 2 has been obtained; a population of 1,2-cis-form 6a in solution has been found; and the crystal structures of 3-6 have been studied.