3,3'-(4,4'-methylenebis(4,1-phenylene))-bis(3,4-dihydro-2H-benzo[e][1,3]oxazin-6-amine) | 1217504-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3'-(4,4'-methylenebis(4,1-phenylene))-bis(3,4-dihydro-2H-benzo[e][1,3]oxazin-6-amine)
• 英文别名: 3,3'-(4,4'-methylenebis(4,1-phenylene))bis(3,4-dihydro-2H-benzo[e][1,3]oxazin-6-amine)；3,3'-(methylenebis(4,1-phenylene))bis(3,4-dihydro-2H-benzo[e][1,3]oxazin-6-amine)；3-[4-[[4-(6-Amino-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazin-6-amine；3-[4-[[4-(6-amino-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazin-6-amine
• CAS: 1217504-97-6
• 化学式: C₂₉H₂₈N₄O₂
• 分子量: 464.567
• InChiKey: PHSJTAUYWLCGDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3'-(4,4'-methylenebis(4,1-phenylene))-bis(3,4-dihydro-2H-benzo[e][1,3]oxazin-6-amine) 、 苯甲酰氯 在 三乙胺 作用下， 以 氯仿 、 N,N-二甲基乙酰胺 为溶剂， 以95%的产率得到N,N'-(3,3'-(methylenebis(4,1-phenylene))bis(3,4-dihydro-2H-benzo[e][1,3]oxazine-6,3-diyl))dibenzamide
  参考文献：
  名称：

  基于衍生自伯胺官能化苯并恶嗪单体的主链型聚苯并恶嗪的交联聚酰胺

  摘要：

  合成了两种类型的主链型聚苯并恶嗪，它们在主链中具有酰胺和苯并恶嗪基团作为重复单元，称为聚（酰胺-苯并恶嗪）。它们是通过伯胺双官能苯并恶嗪与己二酰基和间苯二甲酰二氯的缩聚反应，以二甲基乙酰胺为溶剂制备的。此外，根据3,3'-（4,4'-亚甲基双（4,1-亚苯基））bis（3,4-二氢-2H-苯并[e] [1,3]的反应设计了模型反应恶嗪-6胺）和苯甲酰氯。通过傅立叶变换红外光谱（FTIR）和质子核磁共振证实模型化合物和聚酰胺的结构（11 H NMR）光谱学。差示扫描量热法和FTIR也用于研究模型化合物和聚合物的交联行为。还通过热重分析研究了交联聚合物的热性能。©2011 Wiley Periodicals，Inc. J Polym Sci A部分：Polym Chem，2011年

  DOI：

  10.1002/pola.24867
• 作为产物：
  描述：

  4-(三氟乙酰氨基)苯酚 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙酸乙酯 、 氯苯 、 xylenes 为溶剂， 反应 10.0h， 生成 3,3'-(4,4'-methylenebis(4,1-phenylene))-bis(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

文献信息

• Primary Amine-Functional Benzoxazine Monomers and Their Use for Amide-Containing Monomeric Benzoxazines
  作者：Tarek Agag、Carlos R. Arza、Frans H. J. Maurer、Hatsuo Ishida

  DOI：10.1021/ma902556k

  日期：2010.3.23

  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).
• Crosslinked polyamide based on main-chain type polybenzoxazines derived from a primary amine-functionalized benzoxazine monomer
  作者：Tarek Agag、Carlos R. Arza、Frans H. J. Maurer、Hatsuo Ishida

  DOI：10.1002/pola.24867

  日期：2011.10.15

  Two types of main‐chain type polybenzoxazines with amide and benzoxazine groups as repeating units in the main chain, termed as poly(amide‐benzoxazine), have been synthesized. They have been prepared by polycondensation reaction of primary amine‐bifunctional benzoxazine with adipoyl and isophthaloyl dichloride using dimethylacetamide as solvent. Additionally, a model reaction is designed from the reaction

  合成了两种类型的主链型聚苯并恶嗪，它们在主链中具有酰胺和苯并恶嗪基团作为重复单元，称为聚（酰胺-苯并恶嗪）。它们是通过伯胺双官能苯并恶嗪与己二酰基和间苯二甲酰二氯的缩聚反应，以二甲基乙酰胺为溶剂制备的。此外，根据3,3'-（4,4'-亚甲基双（4,1-亚苯基））bis（3,4-二氢-2H-苯并[e] [1,3]的反应设计了模型反应恶嗪-6胺）和苯甲酰氯。通过傅立叶变换红外光谱（FTIR）和质子核磁共振证实模型化合物和聚酰胺的结构（11 H NMR）光谱学。差示扫描量热法和FTIR也用于研究模型化合物和聚合物的交联行为。还通过热重分析研究了交联聚合物的热性能。©2011 Wiley Periodicals，Inc. J Polym Sci A部分：Polym Chem，2011年