3-(3-methylbut-3-enylamino)propanenitrile | 201228-71-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(3-methylbut-3-enylamino)propanenitrile
• CAS: 201228-71-9
• 化学式: C₈H₁₄N₂
• mdl: MFCD19225112
• 分子量: 138.213
• InChiKey: BKFUEHHJCQWYPL-UHFFFAOYSA-N

物化性质

• 沸点：
  242.7±33.0 °C(Predicted)
• 密度：
  0.876±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-methylbut-3-enylamino)propanenitrile 在 lithium aluminium tetrahydride 作用下， 以40%的产率得到N-(3-methylbut-3-enyl)-1,3-diaminopropane
  参考文献：
  名称：

  Rhodium-catalysed hydroformylation and carbonylation of N-alkenyl-1,3-diaminopropanes

  摘要：

  The rhodium catalysed reactions of N-alkenyl-1,3-diaminopropanes with H-2/CO usually give mixtures of diazabicycloalkanes and aminopropyl lactams. The chemo-and regioselectivity of these reactions are influenced by the choice of ligand and by the ratio of H-2 and CO in the gas mixture and in some cases formation of a single compound can be achieved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10193-4
• 作为产物：
  描述：

  3-甲基丁-3-烯-1-胺 、 丙烯腈 反应 72.0h， 以42%的产率得到3-(3-methylbut-3-enylamino)propanenitrile
  参考文献：
  名称：

  Rhodium-catalysed hydroformylation and carbonylation of N-alkenyl-1,3-diaminopropanes

  摘要：

  The rhodium catalysed reactions of N-alkenyl-1,3-diaminopropanes with H-2/CO usually give mixtures of diazabicycloalkanes and aminopropyl lactams. The chemo-and regioselectivity of these reactions are influenced by the choice of ligand and by the ratio of H-2 and CO in the gas mixture and in some cases formation of a single compound can be achieved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10193-4

文献信息

• Rhodium-catalysed hydroformylation and carbonylation of N-alkenyl-1,3-diaminopropanes
  作者：David J. Bergmann、Eva M. Campi、W.Roy Jackson、Quentin J. McCubbin、Antonio F. Patti

  DOI：10.1016/s0040-4020(97)10193-4

  日期：1997.12

  The rhodium catalysed reactions of N-alkenyl-1,3-diaminopropanes with H-2/CO usually give mixtures of diazabicycloalkanes and aminopropyl lactams. The chemo-and regioselectivity of these reactions are influenced by the choice of ligand and by the ratio of H-2 and CO in the gas mixture and in some cases formation of a single compound can be achieved. (C) 1997 Elsevier Science Ltd.