2-methyl-4-[(E)-[2-nitro-4-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenol | 623915-41-3

• 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: 2-methyl-4-[(E)-[2-nitro-4-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenol
• CAS: 623915-41-3
• 化学式: C₂₂H₁₉N₃O₅
• 分子量: 405.41
• InChiKey: VJDYMJVWBXRIQA-RNIAWFEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-methyl-4-[(E)-[2-nitro-4-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenol 在 potassium tert-butylate 、 2,4,6-三甲基苯磺酰羟胺 、 溶剂黄146 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[(4-{[4-(benzyloxyimino-methyl)-2-nitro-phenoxyimino]-methyl}-2-methyl-phenoxyimino)-methyl]-benzene-1,3-disulfonic acid
  参考文献：
  名称：

  Iterative Oxime Bond Chemistry Leads to Protease Inhibitors

  摘要：

  In the present paper, we have looked at iterative coupling as a strategy to form new druglike molecules. We have developed an iterative coupling chemistry based on oxime bond formation between hydroxyaromatic aldehyde building blocks to form linear oxime oligomers. The strategy is validated by the discovery of micromolar protease inhibitors.

  DOI：

  10.1021/ol035867r
• 作为产物：
  描述：

  O-苄基羟胺 在 potassium tert-butylate 、 2,4,6-三甲基苯磺酰羟胺 、 溶剂黄146 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-methyl-4-[(E)-[2-nitro-4-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenol
  参考文献：
  名称：

  Iterative Oxime Bond Chemistry Leads to Protease Inhibitors

  摘要：

  In the present paper, we have looked at iterative coupling as a strategy to form new druglike molecules. We have developed an iterative coupling chemistry based on oxime bond formation between hydroxyaromatic aldehyde building blocks to form linear oxime oligomers. The strategy is validated by the discovery of micromolar protease inhibitors.

  DOI：

  10.1021/ol035867r