N-[3,3-dimethyl-3,4-dihydro-2(1H)-isoquinolyl]-N-methyleneamine | 1160165-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-[3,3-dimethyl-3,4-dihydro-2(1H)-isoquinolyl]-N-methyleneamine
• 英文别名: N-[3,3-dimethyl-3,4-di-hydro-2(1h)-isoquinolyl]-N-methyleneamine；N-(3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanimine
• CAS: 1160165-47-8
• 化学式: C₁₂H₁₆N₂
• 分子量: 188.272
• InChiKey: LGLJGXNORRKJLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3,3-trimethyl-1,3,4,8b-tetrahydro[1,2]diazirino[3,1-a]isoquinoline 以 邻二甲苯 为溶剂， 反应 9.0h， 生成 N-[3,3-dimethyl-3,4-dihydro-2(1H)-isoquinolyl]-N-methyleneamine
  参考文献：
  名称：

  Thermal opening of the diaziridine fragment in 1-methyl-and 1,3,3-trimethyl-1,3,4,8b-tetrahydro-[1,2]diazirino[3,1-a]isoquinolines in the presence of n-arylmaleimides

  摘要：

  The thermal opening of the diaziridine ring in 1-methyl- and 1,3,3-trimethyl-1,3,4,8b-tetra-hydro[1,2]diazirino[3,1-a]isoquinolines in the presence of N-arylmaleimides leads to the predominant or exclusive formation of the trans isomers of the products of 1,3-dipolar cycloaddition. In the absence of dipolarophile, the conversion of the starting diaziridines is incomplete over the same time period, while the thermolysis products are N-[3,4-dihydro-2(1H)-isoquinolyl]-and N-[3,3-dimethyl-3,4-di-hydro-2(1H)-isoquinolyl]-N-methyleneamines formed as the result of isomerization of intermediate labile azomethineimines.

  DOI：

  10.1007/s10593-008-0122-5