| 741193-12-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 741193-12-4
• 化学式: C₁₆H₁₃N₅O₆S
• 分子量: 403.375
• InChiKey: YLAGUCPLDTUVKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  154.9
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 sodiumsulfide nonahydrate 、 碳酸氢钠 、 盐酸 作用下， 以 水 为溶剂， 反应 5.0h， 以89.4%的产率得到3-methyl-1-(4-sulfophenyl)-4-(4-aminophenylazo)-2-pyrazoline-5-one
  参考文献：
  名称：

  Synthesis and dyeing performance of a novel polycarboxylic acid azo dye

  摘要：

  A novel reactive polycarboxylic acid dye was synthesized by the reaction of polymaleic anhydride (PMA) with 3-methy1-1-(4-sulfonylpheny1)-4-(4-aminophenylazo)-2-pyrazoline-5-one. The structure of the novel dye was characterized by FTIR, UV vis and C-13 NMR spectra. The dyeing properties of dye on cotton were tested, and the novel dye possessed high fixation and good fastness. (C) 2010 Shu Fen Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.11.010
• 作为产物：
  描述：

  4-硝基苯胺 、 1-(4-磺酸苯基)-3-甲基-5-吡唑酮 在 盐酸 、 sodium nitrite 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 1.0h， 以96.9%的产率得到
  参考文献：
  名称：

  Synthesis and dyeing performance of a novel polycarboxylic acid azo dye

  摘要：

  A novel reactive polycarboxylic acid dye was synthesized by the reaction of polymaleic anhydride (PMA) with 3-methy1-1-(4-sulfonylpheny1)-4-(4-aminophenylazo)-2-pyrazoline-5-one. The structure of the novel dye was characterized by FTIR, UV vis and C-13 NMR spectra. The dyeing properties of dye on cotton were tested, and the novel dye possessed high fixation and good fastness. (C) 2010 Shu Fen Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.11.010