(2E,5E)-2,5-bis ((3, 4-dihydro-3-p-tolyl-2Hbenzo[e][1,3]oxazin-6-yl)methylene)cyclopentanone | 1404200-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (2E,5E)-2,5-bis ((3, 4-dihydro-3-p-tolyl-2Hbenzo[e][1,3]oxazin-6-yl)methylene)cyclopentanone
• 英文别名: BZP
• CAS: 1404200-28-7
• 化学式: C₃₇H₃₄N₂O₃
• 分子量: 554.689
• InChiKey: WOBUAQHPVLPBFG-YAGSLNJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.85
• 重原子数：
  42.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  42.01
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,5-bis(4-hydroxybenzylidene)-cyclopentanone 、 乙烷,三氯氟- 以 1,4-二氧六环 、 水 为溶剂， 反应 0.11h， 以82%的产率得到(2E,5E)-2,5-bis ((3, 4-dihydro-3-p-tolyl-2Hbenzo[e][1,3]oxazin-6-yl)methylene)cyclopentanone
  参考文献：
  名称：

  Photolysis and thermal active polymerization of bis (benzylidene) based benzoxazine monomers

  摘要：

  A new class of photopolymerizable benzoxazine monomers has been developed, using photoactive bisphenol derivatives such as bis (4-hydroxybenzylidene)-4-phenyl cyclopentanone and bis (4-hydroxybenzylidene)-4-phenyl cyclohexanone, p-toludine and formaldehyde (37%). The structure of the benzoxazine monomers has been confirmed by Fourier Transform Infra Red spectroscopy (FTIR) and H-1 and C-13 Nuclear Magnetic Resonance spectroscopy (NMR). Upon photolysis with radiation of 365 nm, the monomers undergo photolysis via [2 pi + 2 pi] cyclo-addition reaction, which was confirmed by UV spectroscopy. After photolysis, the benzoxazine monomers were subsequently cured at 200 degrees C for 2 h. The photo irradiated cured products possessed enhanced glass transition temperature and thermal stability, with an increase in the photodimerization time. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.06.002