N-(4-((2,5-diamino-7-(4-chlorophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)diazenyl)phenyl)acetamide | 1356835-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(4-((2,5-diamino-7-(4-chlorophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)diazenyl)phenyl)acetamide
• CAS: 1356835-17-0
• 化学式: C₂₁H₁₆ClN₉O
• 分子量: 445.871
• InChiKey: IEBNFEVSEVFWDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  159.84
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-(4-acetamidophenylazo)malononitrile 在 哌啶 、 吡啶 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 N-(4-((2,5-diamino-7-(4-chlorophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl)diazenyl)phenyl)acetamide
  参考文献：
  名称：

  Synthesis, biological activity and dyeing performance of some novel azo disperse dyes incorporating pyrazolo[1,5-a]pyrimidines for dyeing of polyester fabrics

  摘要：

  Several novel pyrazolopyrimidine azo compounds were achieved from diazotization of 4-aminoacetanilide and coupling with malononitrile and then refluxed with hydrazine hydrate to furnish 3,5-diamino-4-(4-acetamidophenylazo)-1H-pyrazole. The later compound was diazotized and coupled with substituted alpha-cyanocinnamate, alpha-cyanocinnamonitrile, 2-cyano-3-ethoxyacrylic acid ethyl ester, chalcones and ethylacetoacetate to produce novel dyestuffs. Structures of the dyes were fully characterized by using FT-IR, H-1 NMR mass spectroscopy and elemental analysis. The dyes were applied to polyester fiber, affording satisfactory results and showed biological activity towards various microorganisms. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.11.046