1,1'-(5-methyl-1-(4-tolyl)-1H-pyrazole-3,4-diyl)bis(3-(4-methoxyphenyl)prop-2-en-1-one) | 1364309-69-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1,1'-(5-methyl-1-(4-tolyl)-1H-pyrazole-3,4-diyl)bis(3-(4-methoxyphenyl)prop-2-en-1-one)
• 英文别名: (E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-methyl-1-(4-methylphenyl)pyrazol-4-yl]prop-2-en-1-one
• CAS: 1364309-69-2
• 化学式: C₃₁H₂₈N₂O₄
• 分子量: 492.574
• InChiKey: DPWBAFNWVXOFPM-AYKLPDECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  乙酰丙酮 在 sodium ethanolate 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.07h， 生成 1,1'-(5-methyl-1-(4-tolyl)-1H-pyrazole-3,4-diyl)bis(3-(4-methoxyphenyl)prop-2-en-1-one)
  参考文献：
  名称：

  Microwave-assisted Synthesis of Novel 3,4-Bis-chalcone-N-arylpyrazoles and Their Anti-inflammatory Activity

  摘要：

  AbstractA series of 3,4‐bis‐chalcone‐N‐arylpyrazoles 3a‐h was prepared conveniently from diacetyl pyrazoles 2a,b. All reactions were carried out under conventional thermal heating and/or microwave irradiation. The structure of the latter functionally pyrazoles was confirmed under the bases of their IR, mass, 1H NMR and 13C NMR. The X‐ray diffraction of compound 3e not only confirmed the chemical structure of 3a‐h, but also showed the E configuration of their chalcone moieties. Treatment of compound 3e with phenyl hydrazine in presence of acetic acid afforded the tri‐pyrazle 4. The anti‐inflammatory activity of the newly synthesized compounds was investigated. Some of these compounds showed a moderate activity when compared with indomethacin as a reference drug. The combination between chalcone and pyrazole moieties revealed a variable effect in anti‐inflammatory activity.

  DOI：

  10.1002/jccs.201190137