1,3-dimesityl-4,7-dihydro-1H-1,3-diazepin-3-ium chloride | 1235553-09-9

• 英文名称: 1,3-dimesityl-4,7-dihydro-1H-1,3-diazepin-3-ium chloride
• CAS: 1235553-09-9
• 化学式: C₂₃H₂₉N₂*Cl
• 分子量: 368.95
• InChiKey: SUDPFAYEVGDTMQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1,3-dimesityl-4,7-dihydro-1H-1,3-diazepin-3-ium chloride 在 氟硼酸钠 作用下， 生成
  参考文献：
  名称：

  Expanded‐Ring and Backbone‐Functionalised N‐Heterocyclic Carbenes

  摘要：

  AbstractAn unsaturated seven‐membered amidinium salt 7 decomposes in the presence of metal salts under basic conditions. However, 7 readily forms a Diels–Alder cycloadduct with CpH from which the RhI complexes may be prepared. Thus, structurally elaborate, sterically crowded carbene ligand complexes bearing peripheral unsaturated functionality are available in a short versatile synthesis.

  DOI：

  10.1002/ejic.200901182
• 作为产物：
  描述：

  N,N'-dimesitylformamidine 、 反式-1,4-二氯-2-丁烯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以40%的产率得到1,3-dimesityl-4,7-dihydro-1H-1,3-diazepin-3-ium chloride
  参考文献：
  名称：

  Expanded‐Ring and Backbone‐Functionalised N‐Heterocyclic Carbenes

  摘要：

  AbstractAn unsaturated seven‐membered amidinium salt 7 decomposes in the presence of metal salts under basic conditions. However, 7 readily forms a Diels–Alder cycloadduct with CpH from which the RhI complexes may be prepared. Thus, structurally elaborate, sterically crowded carbene ligand complexes bearing peripheral unsaturated functionality are available in a short versatile synthesis.

  DOI：

  10.1002/ejic.200901182