ethyl 1-[4-(4-bromophenyl)thiazol-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylate | 955976-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-[4-(4-bromophenyl)thiazol-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylate
• 英文别名: ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate；ethyl 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
• CAS: 955976-70-2
• 化学式: C₁₆H₁₁BrF₃N₃O₂S
• 分子量: 446.247
• InChiKey: IJJFXUJAHBJWMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  85.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  乙氧基-2-亚甲基三氟乙酰乙酸乙酯 、 4-(4-溴苯基)-2-肼基-1,3-噻唑 以 乙醇 为溶剂， 以69%的产率得到ethyl 1-[4-(4-bromophenyl)thiazol-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  Regioselective cyclocondensation of ethyl 2-ethoxymethylidene-3-oxo-3-polyfluoroalkylpropionates with thiazolylhydrazines

  摘要：

  Ethyl 2-ethoxymethylidene-3-oxo-3-polyfluoroalkylpropionates reacted in a regioselective fashion with thiazolylhydrazines to give the corresponding ethyl 1-thiazolyl-5-fluoroalkyl-1H-pyrazole-4-carboxylates. The product structure was determined on the basis of NMR and X-ray diffraction data.

  DOI：

  10.1134/s1070428008120166

文献信息

• Regioselective cyclocondensation of ethyl 2-ethoxymethylidene-3-oxo-3-polyfluoroalkylpropionates with thiazolylhydrazines
  作者：M. V. Pryadeina、A. B. Denisova、Ya. V. Burgart、V. I. Saloutin

  DOI：10.1134/s1070428008120166

  日期：2008.12

  Ethyl 2-ethoxymethylidene-3-oxo-3-polyfluoroalkylpropionates reacted in a regioselective fashion with thiazolylhydrazines to give the corresponding ethyl 1-thiazolyl-5-fluoroalkyl-1H-pyrazole-4-carboxylates. The product structure was determined on the basis of NMR and X-ray diffraction data.