9-heptyl-diazabicyclo<4.3.0>nonan-7-one | 152565-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 9-heptyl-diazabicyclo<4.3.0>nonan-7-one
• 英文别名: 1-Heptyl-1,2,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazin-3-one
• CAS: 152565-44-1
• 化学式: C₁₄H₂₆N₂O
• 分子量: 238.373
• InChiKey: FKEYGRVOBVHICA-UHFFFAOYSA-N

物化性质

• 沸点：
  328.6±25.0 °C(predicted)
• 密度：
  1.02±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9-heptyl-diazabicyclo<4.3.0>nonan-7-one 在 氨 、 sodium 作用下， 以63%的产率得到4-heptyl-1,5-diazacyclononan-2-one
  参考文献：
  名称：

  Synthesis of (±)tetrahydromyricoidine

  摘要：

  A total synthesis of the spermidine alkaloid (+/-)-tetrahydromyricoidine (6) was achieved by using two ring enlargement reactions. The difficulties experienced in the second ring enlargement step, a transamidation reaction with a medium ring sized lactam bearing two bulky groups are discussed. These were overcome by altering the reaction sequence and the transamidation reaction was successfully carried out by at first deprotection of the Boc function.

  DOI：

  10.1016/s0040-4020(01)80423-3
• 作为产物：
  描述：

  (E)-dec-2-enoyl chloride 以 甲苯 为溶剂， 反应 30.5h， 生成 9-heptyl-diazabicyclo<4.3.0>nonan-7-one
  参考文献：
  名称：

  Synthesis of (±)tetrahydromyricoidine

  摘要：

  A total synthesis of the spermidine alkaloid (+/-)-tetrahydromyricoidine (6) was achieved by using two ring enlargement reactions. The difficulties experienced in the second ring enlargement step, a transamidation reaction with a medium ring sized lactam bearing two bulky groups are discussed. These were overcome by altering the reaction sequence and the transamidation reaction was successfully carried out by at first deprotection of the Boc function.

  DOI：

  10.1016/s0040-4020(01)80423-3

文献信息

• Synthesis of (±)tetrahydromyricoidine
  作者：Jiangao Song、Manfred Hesse

  DOI：10.1016/s0040-4020(01)80423-3

  日期：1993.7

  A total synthesis of the spermidine alkaloid (+/-)-tetrahydromyricoidine (6) was achieved by using two ring enlargement reactions. The difficulties experienced in the second ring enlargement step, a transamidation reaction with a medium ring sized lactam bearing two bulky groups are discussed. These were overcome by altering the reaction sequence and the transamidation reaction was successfully carried out by at first deprotection of the Boc function.