2-(((4-(5-((2-hydroxybenzyl)amino)benzo[d]oxazol-2-yl)phenyl)amino)methyl)phenol | 1234905-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(((4-(5-((2-hydroxybenzyl)amino)benzo[d]oxazol-2-yl)phenyl)amino)methyl)phenol
• CAS: 1234905-82-8
• 化学式: C₂₇H₂₃N₃O₃
• 分子量: 437.498
• InChiKey: UVEPXCSKSGTYTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.13
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  90.55
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 2-(((4-(5-((2-hydroxybenzyl)amino)benzo[d]oxazol-2-yl)phenyl)amino)methyl)phenol 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以86%的产率得到3-[4-[5-(2,4-Dihydro-1,3-benzoxazin-3-yl)-1,3-benzoxazol-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine
  参考文献：
  名称：

  Synthesis of a novel benzoxazine containing benzoxazole structure

  摘要：

  A high-purity benzoxazine (Boz-BOA) containing benzoxazole structure was successfully synthesized by three-step synthetic method using 2-(4-aminophenyl)-1H-benzoxazole-5-amine (BOA) and ortho-hydroxybenzaldehyde The structure of Boz-BOA was confirmed by FTIR and H-1 NMR spectra The DSC was utilized to probe the curing behavior of Boz-BOA and exhibited a narrow melting peak and curing exothermic peak. (C) 2009 Yi Gu Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved

  DOI：

  10.1016/j.cclet.2009.12.012
• 作为产物：
  描述：

  2-[[4-[5-[(2-Hydroxyphenyl)methylideneamino]-1,3-benzoxazol-2-yl]phenyl]iminomethyl]phenol 在 sodium tetrahydroborate 、 水 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以99%的产率得到2-(((4-(5-((2-hydroxybenzyl)amino)benzo[d]oxazol-2-yl)phenyl)amino)methyl)phenol
  参考文献：
  名称：

  Synthesis of a novel benzoxazine containing benzoxazole structure

  摘要：

  A high-purity benzoxazine (Boz-BOA) containing benzoxazole structure was successfully synthesized by three-step synthetic method using 2-(4-aminophenyl)-1H-benzoxazole-5-amine (BOA) and ortho-hydroxybenzaldehyde The structure of Boz-BOA was confirmed by FTIR and H-1 NMR spectra The DSC was utilized to probe the curing behavior of Boz-BOA and exhibited a narrow melting peak and curing exothermic peak. (C) 2009 Yi Gu Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved

  DOI：

  10.1016/j.cclet.2009.12.012