(3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)methanol | 854545-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)methanol
• 英文别名: (3-Phenyl-3,4-dihydro-2h-1,3-benzoxazin-6-yl)methanol；(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methanol
• CAS: 854545-92-9
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: DHAAFAFMNBJIRU-UHFFFAOYSA-N

物化性质

• 沸点：
  436.9±45.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)methanol 、 丙烯酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3-Phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl prop-2-enoate
  参考文献：
  名称：

  互补的多个氢键相互作用导致杂核碱基功能化的苯并恶嗪和多面体寡聚倍半硅氧烷纳米粒子的超分子结构的自组装。

  摘要：

  我们通过A与辛基（苄基氯）POSS（OVBC-POSS）的反应制备了八重腺嘌呤（A）-官能化的多面体低聚倍半硅氧烷[（octakis（乙烯基苄基腺嘌呤-甲硅烷氧基）倍半硅氧烷，OBA-POSS]纳米颗粒。八（二甲基甲硅烷氧基）倍半硅氧烷（Q 8 M 8 H）与乙烯基苄基氯。我们观察到由胸腺嘧啶（T）-官能化的聚苯并恶嗪（PA-T）与OBA-POSS的络合形成的层状结构的自组装，通过PA-T的T基团和A基团之间的互补多个氢键相互作用来稳定OBA-POSS。另外，通过差示扫描量热法和热重分析法证明，将具有多个，牢固的，互补的氢键合A单元的POSS掺入PA-T基质中，可显着增强该聚合物的热稳定性。

  DOI：

  10.1021/ma302077x
• 作为产物：
  描述：

  聚合甲醛 、 对羟基苯甲醇 、 苯胺 以 甲苯 为溶剂， 反应 24.0h， 以38%的产率得到(3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)methanol
  参考文献：
  名称：

  基于富勒烯-苯并恶嗪衍生物的可交联电子传输层，用于反型聚合物太阳能电池。

  摘要：

  报道了可交联的富勒烯衍生物[6,6]-苯基-C 61-丁酸苯并恶嗪酯（PCBB）的合成，光电特性和器件性能。PCBB显示了母体化合物[6,6]-苯基-C 61-丁酸甲酯（PCBM）的所有基本光物理和电化学性质。PCBB中苯并恶嗪部分的热交联导致形成交联的耐溶剂粘合剂膜（C-PCBB）。原子力显微镜（AFM）和光学显微镜研究表明，掺入C-PCBB中间层后，P3HT-PCBM聚合物共混膜的粗糙度和聚集行为显着降低。基于ITO / ZnO / C-PCBB / P3HT-PCBM / V 2 O配置的倒装体异质结太阳能电池与参考器件ITO / ZnO / P3HT-PCBM / V 2 O 5 / Ag（PCE = 3.28％）相比，5 / Ag达到4.27％的功率转换效率（PCE ）。效率提高25％是由于C-PCBB对P​​3HT / C-PCBB和PCBM / C-PCBB异质结的积极影响。

  DOI：

  10.1002/cplu.202000354

文献信息

• Examining the effect of hydroxyl groups on the thermal properties of polybenzoxazines: using molecular design and Monte Carlo simulation
  作者：Kan Zhang、Lu Han、Yijing Nie、Matthew Louis Szigeti、Hatsuo Ishida

  DOI：10.1039/c8ra02033g

  日期：——

  This article is the first report on understanding the structure-property relationship between molecular interactions and thermal properties of polybenzoxazines by Monte Carlo simulations.

  这篇文章是关于通过蒙特卡洛模拟理解分子相互作用与聚苯并咪唑热性能之间结构-性质关系的第一份报告。
• BENZOXAZINE BLENDS
  申请人：WESTERN WASHINGTON UNIVERSITY

  公开号：US20210147601A1

  公开（公告）日：2021-05-20

  Provided herein are blends of benzoxazine-containing monomers with polymer having one or more leaving groups, such as tosylated polymers (e.g., tosylated polyethylene glycol (PEG)); or blends of benzoxazine-containing monomers with particles/fibers having one or more leaving groups.

  本文提供了含苯并噁嗪单体的混合物，其中与具有一个或多个离去基团的聚合物混合，例如甲苯磺酸基聚合物（例如，甲苯磺酸基聚乙二醇（PEG））；或者含有一个或多个离去基团的颗粒/纤维与含苯并噁嗪单体的混合物。
• Mechanistic Pathways for the Polymerization of Methylol-Functional Benzoxazine Monomers
  作者：Mohamed Baqar、Tarek Agag、Rongzhi Huang、João Maia、Syed Qutubuddin、Hatsuo Ishida

  DOI：10.1021/ma301963d

  日期：2012.10.23

  The polymerization mechanism of methylol-functional benzoxazine monomers is reported using a series of monofunctional benzoxazine monomers synthesized via a condensation reaction of ortho-, meta-, or para-methylol-phenol, aniline, and paraformaldehyde following the traditional route of benzoxazine synthesis. A phenol/aniline-type monofunctional benzoxazine monomer has been synthesized as a control. The structures of the synthesized monomers have been confirmed by H-1 NMR and FT-IR. The polymerization behavior of methylol monomers is studied by DSC and shows an exothermic peak associated with condensation reaction of methylol groups and ring opening polymerization of benzoxazine at a lower temperature range than the control monomer. The presence of methylol group accelerates the ring-opening polymerization to give the ascending order of para-, meta-, and ortho-positions in comparison to the unfunctionalized monomer. Furthermore, rheological measurements show that the position of methylol group relative to benzoxazine structure plays a significant role in accelerating the polymerization.
• Methacryloyl-Functional Benzoxazine: Photopolymerization and Thermally Activated Polymerization
  作者：Lin Jin、Tarek Agag、Yusuf Yagci、Hatsuo Ishida

  DOI：10.1021/ma102351a

  日期：2011.2.22

  A novel class of photopolymerizable benzoxazines has been developed. This class has been coined as methacryloyl-functional benzoxazines. It has been synthesized by the reaction of the new benzoxazine monomers: (3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl)methanol and methacryloyl chloride. The structure of the monomer has been confirmed by Fourier transform infrared spectroscopy (FTIR) and H-1 and C-13 nuclear magnetic resonance spectroscopy (NMR). Its photopolymerization has been successfully carried out with and without photoinitiator, while the thermally activated polymerization is compromised by low temperature degradation.
• [EN] BENZOXAZINE BLENDS<br/>[FR] MÉLANGES DE BENZOXAZINE
  申请人：WESTERN WASHINGTON UNIV

  公开号：WO2019195170A1

  公开（公告）日：2019-10-10

  Provided herein are blends of benzoxazine-containing monomers with polymer having one or more leaving groups, such as tosylated polymers (e.g., tosylated polyethylene glycol (PEG)); or blends of benzoxazine-containing monomers with particles/fibers having one or more leaving groups.