1-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-naphtho[1,2-e][1,3]oxazin-3-amine | 1398122-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-naphtho[1,2-e][1,3]oxazin-3-amine
• 英文别名: 1-(1,3-diphenylpyrazol-4-yl)-1H-benzo[f][1,3]benzoxazin-3-amine
• CAS: 1398122-98-9
• 化学式: C₂₇H₂₀N₄O
• 分子量: 416.482
• InChiKey: DECFBYQKXSETIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-((1,3-diphenyl-1H-pyrazol-4-yl)(2-hydroxynaphthalen-1-yl)methyl)urea 以 乙醇 为溶剂， 反应 1.0h， 以59%的产率得到1-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-naphtho[1,2-e][1,3]oxazin-3-amine
  参考文献：
  名称：

  Synthesis of 1-amidoalkyl-2-naphthols and oxazine derivatives with study of their antibacterial and antiviral activities

  摘要：

  An efficient and direct protocol for the preparation of 1-amidoalkyl-2-naphthols 1a-f employing a multi-component, one-pot condensation reaction of 2-naphthol, heterocyclic aldehydes, and amides in the presence of anhydrous zinc chloride under solvent-free conditions is described. The thermal solvent-free offer advantages such as shorter reaction times, simple work-up and excellent yield. Ring closure of 1a-f gave the pyrazolyl- and indolyl oxazine derivatives 2a-f. On the other hand, the reaction of 2-naphthol, aldehydes, and ammonia solution gave the dipyrazolyl- and di-indolyl oxazine derivatives 3a,b. Some of the newly synthesized compounds showed promising antibacterial and anti-H5N1 activities.

  DOI：

  10.1007/s00044-012-0205-9