1,3-dimethyl-1,2-diazacyclopropane | 26177-36-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-dimethyl-1,2-diazacyclopropane
• 英文别名: 1,3-Dimethyldiaziridine
• CAS: 26177-36-6
• 化学式: C₃H₈N₂
• 分子量: 72.1099
• InChiKey: KRRJYZCBLTXNCY-UHFFFAOYSA-N

物化性质

• 沸点：
  37.4±23.0 °C(Predicted)
• 密度：
  0.897±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  溴甲苯 、 1,3-dimethyl-1,2-diazacyclopropane 在 sodium amide 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以47%的产率得到1,3,3-三甲基-2-(苯基甲基)二氮杂环丙烷
  参考文献：
  名称：

  [EN] AGENTS FOR TREATING NEURODEGENERATIVE DISORDERS
  [FR] AGENTS POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES

  摘要：

  公开号：

  WO2013121334A3
• 作为产物：
  描述：

  乙醛 、 甲胺 在 hydroxylamine-O-sulfonic acid 作用下， 生成 1,3-dimethyl-1,2-diazacyclopropane
  参考文献：
  名称：

  The role of pH in the synthesis of diaziridines

  摘要：

  The greatest yield in the synthesis of diaziridines from carbonyl compounds, amines, and aminating reagents in water is achieved at a specific pH, which shifts to less alkaline values with increasing -I effect of the substituents in the carbonyl compound and with decreasing pK(BH+) value of the amine. The role of pH is related to the conditions for the generation of an immonium from the intermediate alpha-aminocarbinol. The nuclear Overhauser effect was used to determine the orientation of the substituents in several diastereomers of the didikyldiaziridines obtained.

  DOI：

  10.1007/bf00959732

文献信息

• Preparation of N-aminomethyldiaziridines
  作者：A. A. Dudinskaya、A. E. Bova、L. I. Khmel'nitskii、S. S. Novikov

  DOI：10.1007/bf00857403

  日期：1971.7
• [EN] AGENTS FOR TREATING NEURODEGENERATIVE DISORDERS<br/>[FR] AGENTS POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：CRO CONSULTING LTD

  公开号：WO2013121334A3

  公开（公告）日：2013-10-31
• The role of pH in the synthesis of diaziridines
  作者：V. V. Kuznetsov、N. N. Makhova、Yu. A. Strelenko、L. I. Khmel'nitskii

  DOI：10.1007/bf00959732

  日期：1991.12

  The greatest yield in the synthesis of diaziridines from carbonyl compounds, amines, and aminating reagents in water is achieved at a specific pH, which shifts to less alkaline values with increasing -I effect of the substituents in the carbonyl compound and with decreasing pK(BH+) value of the amine. The role of pH is related to the conditions for the generation of an immonium from the intermediate alpha-aminocarbinol. The nuclear Overhauser effect was used to determine the orientation of the substituents in several diastereomers of the didikyldiaziridines obtained.