3,5,7-trimethyl-4H-diazepine | 88829-73-6

• 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: 3,5,7-trimethyl-4H-diazepine
• 英文别名: 4H-1,2-Diazepine, 3,5,7-trimethyl-
• CAS: 88829-73-6
• 化学式: C₈H₁₂N₂
• 分子量: 136.197
• InChiKey: KTRYUGCCKRHLIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 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：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4,6-trimethyl-pyranylium 在 碳酸氢钠 、 一水合肼 作用下， 生成 3,5,7-trimethyl-4H-diazepine
  参考文献：
  名称：

  Electron impact mass spectra of 3,5,7-triaryl-and -trialkyl-4H-1,2-diazepines

  摘要：

  AbstractElectron impact mass spectra of 3,5,7‐trisubstituted 4H‐1,2‐diazepines indicate that aryl substituents lead to N2expulsion while alkyl substitutents do not. A common fragmentation pattern is observed and discussed for all alkyldiazepines, most of which are newly reported compounds. Assignments are based on electron impact mass spectra of deuteriated substrates and high resolution mass spectra. A previous interpretation of N2expulsion is corrected.

  DOI：

  10.1002/oms.1210181006

文献信息

• Electron impact mass spectra of 3,5,7-triaryl-and -trialkyl-4H-1,2-diazepines
  作者：Alexandru T. Balaban、Mircea D. Gheorghiu、Teodor Silviu Balaban

  DOI：10.1002/oms.1210181006

  日期：1983.10

  AbstractElectron impact mass spectra of 3,5,7‐trisubstituted 4H‐1,2‐diazepines indicate that aryl substituents lead to N2expulsion while alkyl substitutents do not. A common fragmentation pattern is observed and discussed for all alkyldiazepines, most of which are newly reported compounds. Assignments are based on electron impact mass spectra of deuteriated substrates and high resolution mass spectra. A previous interpretation of N2expulsion is corrected.