| 1402247-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1402247-86-2
• 化学式: C₁₉H₂₀N₄O
• 分子量: 320.394
• InChiKey: YPPQAWAKUOSTOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  58.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 三氟化硼乙醚 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以91%的产率得到4-(14,14-difluoro-4,6-dimethyl-13-oxa-3,11-diaza-1-azonia-14-boranuidatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,8,11-hexaen-12-yl)-N,N-dimethylaniline
  参考文献：
  名称：

  Large Stokes Shift Induced by Intramolcular Charge Transfer in N,O-Chelated Naphthyridine–BF₂ Complexes

  摘要：

  Novel N,O-chelated naphthyridine-BF2 complexes with push-pull structures have been synthesized and characterized. Spectral investigations on these complexes reveal that photoinduced intramolecular charge transfer occurs and results in a large Stokes shift, which is further supported by density functional theory based theoretical calculations,

  DOI：

  10.1021/ol302347m
• 作为产物：
  描述：

  2,6-二氨基吡啶 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Large Stokes Shift Induced by Intramolcular Charge Transfer in N,O-Chelated Naphthyridine–BF₂ Complexes

  摘要：

  Novel N,O-chelated naphthyridine-BF2 complexes with push-pull structures have been synthesized and characterized. Spectral investigations on these complexes reveal that photoinduced intramolecular charge transfer occurs and results in a large Stokes shift, which is further supported by density functional theory based theoretical calculations,

  DOI：

  10.1021/ol302347m