2-(2-(2,6-dimethylphenylimino)-7-nitro-2H-benzo[b][1,4]oxazin-3-yl)phenol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-(2-(2,6-dimethylphenylimino)-7-nitro-2H-benzo[b][1,4]oxazin-3-yl)phenol
• 英文别名: 2-[2-(2,6-Dimethylphenyl)imino-7-nitro-1,4-benzoxazin-3-yl]phenol；2-[2-(2,6-dimethylphenyl)imino-7-nitro-1,4-benzoxazin-3-yl]phenol
• 化学式: C₂₂H₁₇N₃O₄
• 分子量: 387.395
• InChiKey: ZOIAWMUODFQGJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[[(2-hydroxy-4-nitrophenyl)imino]methyl] phenol 、 2,6-二甲基苯基异腈 以 甲苯 为溶剂， 以33%的产率得到2-(2-(2,6-dimethylphenylimino)-7-nitro-2H-benzo[b][1,4]oxazin-3-yl)phenol
  参考文献：
  名称：

  Three-component synthesis of 2-imino-1,4-benzoxazines

  摘要：

  A series of 2-imino-1,4-benzoxazines (8a-e) were prepared by the one-pot, three-component, condensation of salicylaldehyde (4), various ortho-aminophenols (5), and 2,6-dimethylphenylisonitrile (6). The structures of four of the crystalline benzoxazine derivatives (8b-e) were unambiguously established by X-ray analysis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.04.080

文献信息

• Three-component synthesis of 2-imino-1,4-benzoxazines
  作者：Ma. Carmen García-González、Eduardo González-Zamora、Rosa Santillan、Oscar Domínguez、José Manuel Méndez-Stivalet、Norberto Farfán

  DOI：10.1016/j.tet.2009.04.080

  日期：2009.7

  A series of 2-imino-1,4-benzoxazines (8a-e) were prepared by the one-pot, three-component, condensation of salicylaldehyde (4), various ortho-aminophenols (5), and 2,6-dimethylphenylisonitrile (6). The structures of four of the crystalline benzoxazine derivatives (8b-e) were unambiguously established by X-ray analysis. (C) 2009 Elsevier Ltd. All rights reserved.