4-benzyl-3-ethoxy-1H-pyrazole | 1207432-18-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzyl-3-ethoxy-1H-pyrazole
• 英文别名: 4-benzyl-5-ethoxy-1H-pyrazole
• CAS: 1207432-18-5
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: CTWOOAXFLGCTEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-benzyl-3-ethoxy-1H-pyrazole 在 N-碘代丁二酰亚胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 10.0h， 以61%的产率得到4-benzyl-3-ethoxy-5-iodo-1H-pyrazole
  参考文献：
  名称：

  A Study of Negishi Cross-Coupling Reactions with Benzylzinc Halides­ To Prepare Original 3-Ethoxypyrazoles

  摘要：

  The Negishi palladium-catalyzed cross-coupling reaction between 3-ethoxy-4-iodo-1H-pyrazole and various benzylzinc halides was extensively studied. Using simplified, robust, and optimized reaction conditions, a series of electron-poor benzylzinc halides were prepared and used to synthesize 4-benzyl-3-ethoxy-1H-pyrazoles derivatives. From these, iodination on C5 of the pyrazole nucleus led to the corresponding 4-benzyl-3-ethoxy-5-iodo-1H-pyrazoles, these are original building blocks for the preparation of libraries of new chemical entities.

  DOI：

  10.1055/s-0034-1379458
• 作为产物：
  描述：

  溴甲苯 在 palladium diacetate 、 lithium chloride 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 4-benzyl-3-ethoxy-1H-pyrazole
  参考文献：
  名称：

  A Study of Negishi Cross-Coupling Reactions with Benzylzinc Halides­ To Prepare Original 3-Ethoxypyrazoles

  摘要：

  The Negishi palladium-catalyzed cross-coupling reaction between 3-ethoxy-4-iodo-1H-pyrazole and various benzylzinc halides was extensively studied. Using simplified, robust, and optimized reaction conditions, a series of electron-poor benzylzinc halides were prepared and used to synthesize 4-benzyl-3-ethoxy-1H-pyrazoles derivatives. From these, iodination on C5 of the pyrazole nucleus led to the corresponding 4-benzyl-3-ethoxy-5-iodo-1H-pyrazoles, these are original building blocks for the preparation of libraries of new chemical entities.

  DOI：

  10.1055/s-0034-1379458

文献信息

• Alkoxypyrazoles and the process for their preparation
  申请人：Institut Pasteur

  公开号：EP2151434A1

  公开（公告）日：2010-02-10

  The present invention relates to a process for the preparation of alkoxypyrazoles and new alkoxypyrazole compounds.

  本发明涉及一种制备烷氧基吡唑和新烷氧基吡唑化合物的方法。
• [EN] NEW ALKOXYPYRAZOLES<br/>[FR] NOUVEAUX ALCOXYPYRAZOLES
  申请人：PASTEUR INSTITUT

  公开号：WO2010015656A2

  公开（公告）日：2010-02-11

  The present invention relates to a process for the preparation of alkoxypyrazoles and new alkoxypyrazole compounds.