methyl 5-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-((1-methylethyl){[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}amino)-2-thiophenecarboxylate | 942589-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 5-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-((1-methylethyl){[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}amino)-2-thiophenecarboxylate
• CAS: 942589-95-9
• 化学式: C₂₈H₂₈F₃N₃O₃S₂
• 分子量: 575.676
• InChiKey: AGHKCCOOPVJQGT-MXVIHJGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.69
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  63.91
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  methyl 5-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-((1-methylethyl){[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}amino)-2-thiophenecarboxylate 在 甲醇 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 DCM 、 水 为溶剂， 生成 5-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-((1-methylethyl){[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}amino)-2-thiophenecarboxylic acid
  参考文献：
  名称：

  WO2007/71434

  摘要：

  公开号：
• 作为产物：
  描述：

  6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[2,1-b][1,3]thiazole 、 methyl 5-iodo-3-((1-methylethyl){[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}amino)-2-thiophenecarboxylate 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.42h， 生成 methyl 5-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-((1-methylethyl){[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}amino)-2-thiophenecarboxylate
  参考文献：
  名称：

  WO2007/71434

  摘要：

  公开号：

文献信息

• Antiviral 2-Carboxy-Thiophene Compounds
  申请人：Corfield John Andrew

  公开号：US20090136448A1

  公开（公告）日：2009-05-28

  Anti-viral agents of compounds of Formula (I): wherein A, R 1 , R 2 and R 3 are as defined in the specification, processes for their preparation and their use in HCV treatment are provided.

  本发明提供了化合物公式（I）的抗病毒剂，其中A、R1、R2和R3如规范中所定义，以及它们的制备过程和在HCV治疗中的使用。
• A METHOD FOR MANUFACTURE OF CEFTIOFUR
  申请人：Lupin Limited

  公开号：EP1556388A2

  公开（公告）日：2005-07-27
• Method for manufacture of ceftiofur
  申请人：Tyagi Dutt Om

  公开号：US20060149054A1

  公开（公告）日：2006-07-06

  A process for preparation of ceftiofur of formula (I) of high purity and substantially free from impurities is disclosed. The process comprises reacting [2-(2-aminothiazol-4-yl)]-2-syn-methoxyimino acetic acid-2-benzothiazolyl thioester of formula (II), with 7-amino-3-(2-furanylcarbonylthiomethyl)-3-cephem-4-carboxylic acid of formula (III) in the presence of a mixture of an water-immescible inert organic solvent and water and in the presence of a organic base and isolating ceftiofur of formula (I) substantially free of impurities by, d) adding water to the reaction mixture and selectively partitioning the impurities in the organic phase and ceftiofur (I) in the form of a salt with the base in the aqueous phase, e) acidifying the aqueous phase containing ceftiofur (I) in the form of a salt with the base in the presence of a mixture containing a water-miscible and a water-immiscible organic solvent and in the presence of a saturated aqueous solution of an alkali or alkaline earth containing salt, to partition ceftiofur (I) in the organic phase, and f) isolating ceftiofur (I) of high purity and substantially free of impurities by evaporation of the organic solvent or precipitation by addition of a co-solvent.
• US7511135B2
  申请人：——

  公开号：US7511135B2

  公开（公告）日：2009-03-31
• [EN] A METHOD FOR MANUFACTURE OF CEFTIOFUR<br/>[FR] PROCEDE DE FABRICATION DE CEFTIOFUR
  申请人：LUPIN LTD

  公开号：WO2004039811A2

  公开（公告）日：2004-05-13

  A process for preparation of ceftiofur of formula (I) of high purity and substantially free from impurities is disclosed. The process comprises reacting [2-(2-aminothiazol-4-yl)]-2-syn-methoxyimino acetic acid-2-benzothiazolyl thioester of formula (II), with 7-amino-3-(2-furanylcarbonylthiomethyl)-3-cephem-4-carboxylic acid of formula (III) in the presence of a mixture of an water-immescible inert organic solvent and water and in the presence of a organic base and isolating ceftiofur of formula (I) substantially free of impurities by, d) adding water to the reaction mixture and selectively partitioning the impurities in the organic phase and ceftiofur (I) in the form of a salt with the base in the aqueous phase, e) acidifying the aqueous phase containing ceftiofur (I) in the form of a salt with the base in the presence of a mixture containing a water-miscible and a water-immiscible organic solvent and in the presence of a saturated aqueous solution of an alkali or alkaline earth containing salt, to partition ceftiofur (I) in the organic phase, and f) isolating ceftiofur (I) of high purity and substantially free of impurities by evaporation of the organic solvent or precipitation by addition of a co-solvent.