1,1,2,3,3-Pentamethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[c]pyrrol-5-one | 125069-41-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,2,3,3-Pentamethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
• CAS: 125069-41-2
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: JIGQYYASTFEWPK-UHFFFAOYSA-N

物化性质

• 沸点：
  269.6±29.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.0
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

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

文献信息

• Activation of unsaturated substrates by cobalt complexes. Crystal structure and reactivity of a complex of octacarbonyl dicobalt with N-methylbis(α,α-dimethylpropargyl)amine
  作者：Luigi Pietro Battaglia、Daniele Delledonne、Mario Nardelli、Giovanni Predieri、Gian Paolo Chiusoli、Mirco Costa、Corrado Pelizzi

  DOI：10.1016/0022-328x(89)88055-6

  日期：1989.3

  A new complex of octacarbonyl dicobalt with N-methyl(α,α-dimethylpropargyl)amine was prepared and characterized by spectroscopic and X-ray diffraction methods. Each triple bond is coordinated to a hexacarbonyldicobalt fragment and each metal shows a pseudo-octahedral geometry. The structure of the free ligand having NH in place of N-methyl has also been determined for comparison.

  制备了八羰基二钴与N-甲基（α，α-二甲基炔丙基）胺的新型配合物，并通过光谱和X射线衍射法对其进行了表征。每个三键与一个六羰基二钴片段配位，并且每种金属均显示伪八面体几何形状。还已经确定了具有NH代替N-甲基的游离配体的结构用于比较。