3-[2-(ethylphenylamino)-4-phenylthiazol-5-yl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | 1476801-62-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-[2-(ethylphenylamino)-4-phenylthiazol-5-yl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
• 英文别名: ethyl 3-[2-(N-ethylanilino)-4-phenyl-1,3-thiazol-5-yl]-1-(4-fluorophenyl)pyrazole-4-carboxylate
• CAS: 1476801-62-3
• 化学式: C₂₉H₂₅FN₄O₂S
• 分子量: 512.608
• InChiKey: FZMZDNIBXFEUJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  88.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(phenylcarbamothioyl)benzimidamide 在 sodium hydride 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 mineral oil 为溶剂， 反应 9.0h， 生成 3-[2-(ethylphenylamino)-4-phenylthiazol-5-yl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of novel bioactive pyrazolothiazoles

  摘要：

  The synthesis of 3-{substituted 1,3-thiazol-5-yl}-1-substituted 1H-pyrazole-4-carboxylates (4a-n) has been achieved in facile manner by the reaction between 2-aminothiazoles, dimethylformamide dimethyl acetal and hydrazine. All the synthesized compounds were characterized by spectral and elemental analyses. These compounds were also evaluated against anti-inflammatory activity and showing promising activities.

  DOI：

  10.1007/s00044-013-0825-8

文献信息

• Synthesis of novel bioactive pyrazolothiazoles
  作者：S. Yuvaraj、Monica Mendon、Asha Almeida、Mini Dhiman、Manju Girish

  DOI：10.1007/s00044-013-0825-8

  日期：2014.5

  The synthesis of 3-substituted 1,3-thiazol-5-yl}-1-substituted 1H-pyrazole-4-carboxylates (4a-n) has been achieved in facile manner by the reaction between 2-aminothiazoles, dimethylformamide dimethyl acetal and hydrazine. All the synthesized compounds were characterized by spectral and elemental analyses. These compounds were also evaluated against anti-inflammatory activity and showing promising activities.