Propan-2-yl 1-(3-acetamido-2-bromo-3-methylbutyl)-5-propan-2-yloxypyrazole-4-carboxylate | 1400272-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Propan-2-yl 1-(3-acetamido-2-bromo-3-methylbutyl)-5-propan-2-yloxypyrazole-4-carboxylate
• 英文别名: propan-2-yl 1-(3-acetamido-2-bromo-3-methylbutyl)-5-propan-2-yloxypyrazole-4-carboxylate
• CAS: 1400272-35-6
• 化学式: C₁₇H₂₈BrN₃O₄
• 分子量: 418.331
• InChiKey: FAIMKRFSWSJEFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Propan-2-yl 1-(3-acetamido-2-bromo-3-methylbutyl)-5-propan-2-yloxypyrazole-4-carboxylate 在 三乙胺 作用下， 反应 3.0h， 以435.2 g的产率得到propan-2-yl 5-propan-2-yloxy-1-[(2,4,4-trimethyl-5H-1,3-oxazol-5-yl)methyl]pyrazole-4-carboxylate
  参考文献：
  名称：

  EP2687515

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(3-Methylbut-2-enyl)-5-propan-2-yloxypyrazole-4-carbonyl chloride 在 N-溴代丁二酰亚胺(NBS) 、 三氟化硼丁醚络合物 、 水 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 4.0h， 生成 Propan-2-yl 1-(3-acetamido-2-bromo-3-methylbutyl)-5-propan-2-yloxypyrazole-4-carboxylate
  参考文献：
  名称：

  EP2687515

  摘要：

  公开号：

文献信息

• METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE
  申请人：Shionogi & Co., Ltd.

  公开号：EP2687515A1

  公开（公告）日：2014-01-22

  Disclosed is a process for producing a pyrazole carboxylic acid derivative which is useful as a significant intermediate of an 11βHSD-1 inhibitor. A compound represented by the Formula (XI): is useful as a significant intermediate of an 11βHSD-1 inhibitor, wherein R1 and R2 are each independently hydrogen or substituted or unsubstituted alkyl, R3 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl and R4 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl.

  本发明公开了一种吡唑羧酸衍生物的生产工艺，该衍生物可用作 11βHSD-1 抑制剂的重要中间体。 由式（XI）代表的化合物： 可用作 11βHSD-1 抑制剂的重要中间体、 其中 R1 和 R2 各自独立地为氢或取代或未取代的烷基，R3 为取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的环烷基、取代或未取代的环烯基、取代或未取代的芳基、取代或未取代的杂芳基或取代或未取代的杂环基，且 R4 是取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的环烷基、取代或未取代的环烯基、取代或未取代的芳基、取代或未取代的杂芳基或取代或未取代的杂环基。
• METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE
  申请人：Uenaka Masaaki

  公开号：US20140012013A1

  公开（公告）日：2014-01-09

  Disclosed is a process for producing a pyrazole carboxylic acid derivative which is useful as a significant intermediate of an 11βHSD-1 inhibitor. A compound represented by the Formula (XI): is useful as a significant intermediate of an 11βHSD-1 inhibitor, wherein R 1 and R 2 are each independently hydrogen or substituted or unsubstituted alkyl, R 3 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl and R 4 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl.