N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)cyclohexanecarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)cyclohexanecarboxamide
• 化学式: C₁₆H₁₉N₃O₂
• 分子量: 285.346
• InChiKey: LIIALIDJXFETDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨基-1-苯基-2-吡唑啉-5-酮 、 环己甲酰氯 在 polymer supported Huenig's base 、 N-(2-aminoethyl)aminomethylpolystyrene 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以34%的产率得到N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)cyclohexanecarboxamide
  参考文献：
  名称：

  Synthesis and purification of 3-N-acylaminopyrazolinones using a sequence of functionalized polymers

  摘要：

  A parallel synthesis route to 3-acylaminopyrazolinones using a sequence of functionalized polymers has been developed. The polymers were utilized as both stoichiometric reagents and purification agents to allow for the clean formation of the desired target compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00738-x

文献信息

• Synthesis and purification of 3-N-acylaminopyrazolinones using a sequence of functionalized polymers
  作者：Jiasheng Fu、Stephen J. Shuttleworth

  DOI：10.1016/s0040-4039(03)00738-x

  日期：2003.5

  A parallel synthesis route to 3-acylaminopyrazolinones using a sequence of functionalized polymers has been developed. The polymers were utilized as both stoichiometric reagents and purification agents to allow for the clean formation of the desired target compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.