ethyl 2-[2-(2,4-difluorophenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propylamino]-5-propyl-thiophene-3-carboxylate | 1235965-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: ethyl 2-[2-(2,4-difluorophenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propylamino]-5-propyl-thiophene-3-carboxylate
• 英文别名: Ethyl 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]-5-propylthiophene-3-carboxylate
• CAS: 1235965-72-6
• 化学式: C₂₁H₂₄F₂N₄O₃S
• 分子量: 450.509
• InChiKey: NQTZTYNRAXKXKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl 2-formylamino-5-propyl-thiophene-3-carboxylate 、 1-[2-(2,4-二氟苯基)-2,3-环氧基丙基]-1H-1,2,4-噻唑 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 反应 12.67h， 以92%的产率得到ethyl 2-[2-(2,4-difluorophenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propylamino]-5-propyl-thiophene-3-carboxylate
  参考文献：
  名称：

  [EN] THIOPHENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS FOR THEIR PREPARATION
  [FR] ANALOGUES DE FLUCONAZOLE CONTENANT DU TIOPHÈNE UTILISÉS EN TANT QU'AGENTS ET PROCÉDÉ D'UTILISATION ASSOCIÉ

  摘要：

  公开号：

  WO2010046912A3

文献信息

• THIOPHENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS THEREOF
  申请人：Council of Scientific and Industrial Research

  公开号：EP2346861B1

  公开（公告）日：2013-01-23
• THIOPENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS FOR THEIR PREPARATION
  申请人：Borate Hanumant Bapurao

  公开号：US20110144171A1

  公开（公告）日：2011-06-16

  The present invention discloses novel compounds of the Formula (1), containing thiophene moieties and pharmaceutically acceptable salts thereof, methods for preparing these compounds, the use of these compounds in prevention and treatment of fungal infections, and pharmaceutical preparations containing these novel compounds.
• US8236840B2
  申请人：——

  公开号：US8236840B2

  公开（公告）日：2012-08-07
• [EN] THIOPHENE CONTAINING ANALOGUES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND PROCESS THEREOF<br/>[FR] ANALOGUES DE FLUCONAZOLE CONTENANT DU TIOPHÈNE UTILISÉS EN TANT QU'AGENTS ET PROCÉDÉ D'UTILISATION ASSOCIÉ
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2010046912A2

  公开（公告）日：2010-04-29

  The present invention discloses novel compounds of the Formula (1), containing thiophene moieties and pharmaceutically acceptable salts thereof, methods for preparing these compounds, the use of these compounds in prevention and treatment of fungal infections, and pharmaceutical preparations containing these novel compounds.