4,5,6,7-tetrachloro-2-(3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)isoindoline-1,3-dione | 1217504-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4,5,6,7-tetrachloro-2-(3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)isoindoline-1,3-dione
• CAS: 1217504-95-4
• 化学式: C₂₂H₁₂Cl₄N₂O₃
• 分子量: 494.161
• InChiKey: LIRLGHWMSOBDRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.46
• 重原子数：
  31.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4,5,6,7-tetrachloro-2-(3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)isoindoline-1,3-dione 在 氢气 、 一水合肼 作用下， 以 乙醚 为溶剂， 反应 5.0h， 以80%的产率得到3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-amine
  参考文献：
  名称：

  Primary Amine-Functional Benzoxazine Monomers and Their Use for Amide-Containing Monomeric Benzoxazines

  摘要：

  Amino-functional benzoxazine monomers have been successfully prepared. Several routes have been applied to incorporate amino group into benzoxazine structure. These approaches include reduction of the corresponding nitro-functional benzoxazines and deprotection of protected amino-functional benzoxazine monomers. Various approaches that allow primary amine groups to be prepared without damaging the existing benzoxazine groups have been evaluated. Tetrachlorophthalimide and trifluoroacetyl are found to be suitable protecting groups. In addition, a model compound of amide-functional benzoxazines is prepared from primary amine-functional benzoxazine. Fourier transform infrared spectroscopy (FTIR) and H-1 and C-13 nuclear magnetic resonance spectroscopy (NMR) are used to characterize the structure of the monomers. The polymerization behavior of amino-functional monomers and model compound are studied by differential scanning calorimetry (DSC).

  DOI：

  10.1021/ma902556k
• 作为产物：
  描述：

  聚合甲醛 、 2-氨基-4-氯苯酚-5-磺酰胺 、 苯胺 以 xylenes 为溶剂， 反应 36.0h， 以60%的产率得到4,5,6,7-tetrachloro-2-(3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)isoindoline-1,3-dione
  参考文献：
  名称：

  Primary Amine-Functional Benzoxazine Monomers and Their Use for Amide-Containing Monomeric Benzoxazines

  摘要：

  Amino-functional benzoxazine monomers have been successfully prepared. Several routes have been applied to incorporate amino group into benzoxazine structure. These approaches include reduction of the corresponding nitro-functional benzoxazines and deprotection of protected amino-functional benzoxazine monomers. Various approaches that allow primary amine groups to be prepared without damaging the existing benzoxazine groups have been evaluated. Tetrachlorophthalimide and trifluoroacetyl are found to be suitable protecting groups. In addition, a model compound of amide-functional benzoxazines is prepared from primary amine-functional benzoxazine. Fourier transform infrared spectroscopy (FTIR) and H-1 and C-13 nuclear magnetic resonance spectroscopy (NMR) are used to characterize the structure of the monomers. The polymerization behavior of amino-functional monomers and model compound are studied by differential scanning calorimetry (DSC).

  DOI：

  10.1021/ma902556k