(4Z)-4-[2-(4-chlorophenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4Z)-4-[2-(4-chlorophenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine
• 英文别名: 4-[(4-chlorophenyl)diazenyl]-5-methyl-2-phenylpyrazol-3-amine
• 化学式: C₁₆H₁₄ClN₅
• 分子量: 311.774
• InChiKey: MXXIRNYHESNMPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  68.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4Z)-4-[2-(4-chlorophenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine 、 3-甲基-1-苯基-1H-吡唑-5-醇 在 盐酸 、 溶剂黄146 、 sodium nitrite 、 sodium acetate 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 以62%的产率得到4-(4'-(p-chlorophenylazo)-3'-methyl-1'-phenylpyrazole-5'-ylazo)-5-hydroxy-3-methyl-1-phenylpyrazole
  参考文献：
  名称：

  New disazo pyrazole disperse dyes: Synthesis, spectroscopic studies and tautomeric structures

  摘要：

  5-amino-4-arylazo-3-methyl-1-phenylpyrazoles (2a-k) were diazotised and coupled with 5-hydroxy-3-methyl-1H-pyrazole and 5-hydroxy-3-methyl-1-phenylpyrazole to generate two series disazo pyrazole disperse dyes (3a-k and 4a-k). These novel synthesized disazo pyrazole disperse dyes were characterized by elemental analysis and spectral methods. Absorption ability and tautomeric structure of synthesized disazo pyrazole disperse dyes substituted with electron-withdrawing and electron-donating groups at their o, m- and p-positions were also examined in detail. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2015.02.032