1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine | 93128-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
• 英文别名: 1,1,2,3,3,6-hexamethylpyrrolo[3,4-c]pyridine
• CAS: 93128-48-4
• 化学式: C₁₃H₂₀N₂
• 分子量: 204.315
• InChiKey: XGXBNROPOMEEPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙腈 、 alkaline earth salt of/the/ methylsulfuric acid 反应 24.0h， 以8%的产率得到1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
  参考文献：
  名称：

  Formation of metallacycles from terminal diynes with geminal methyl groups α to the triple bonds. Synthesis and crystal structure of Co2(CO)5[(HCCCMe2)2NMe], an intermediate in cobalt-catalyzed organic syntheses

  摘要：

  The title complex has been synthesized by refluxing a toluene solution of Co2(CO)8 and the diyne [(HC = CCMe2)2NMe]. It has been characterized by IR and NMR spectroscopy and its structure determined by an X-ray diffraction study. The complex is one of the few examples of a crystallographically characterized cobaltacyclopentadiene derivative. It can be considered to be an intermediate in the cyclization reaction of acetylenic derivatives catalyzed by cobalt carbonyls, and a model for the intermediates in heterocycle formation from diynes and nitriles catalyzed by Co0 complexes.

  DOI：

  10.1016/0022-328x(92)83029-h