1-phenyl-1,5,6,7,8,9-hexahydrocyclopenta[b]pyrazolo[4,3-e]pyridin-4-amine | 1021949-56-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-1,5,6,7,8,9-hexahydrocyclopenta[b]pyrazolo[4,3-e]pyridin-4-amine
• 英文别名: 1-Phenyl-6,7,8,9-hexahydro-1H,5H-cyclohepta[1',2':2,3]pyrido[6,5-c]pyrazol-4-amine；4-phenyl-2,4,5-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-8-amine
• CAS: 1021949-56-3
• 化学式: C₁₇H₁₈N₄
• 分子量: 278.357
• InChiKey: MGWXBLQLKUSTCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-氨基-1-苯基吡唑-4-腈 、 环庚酮 在 zinc(II) chloride 作用下， 反应 0.17h， 以43%的产率得到1-phenyl-1,5,6,7,8,9-hexahydrocyclopenta[b]pyrazolo[4,3-e]pyridin-4-amine
  参考文献：
  名称：

  Simultaneous Synthesis of Pyrazolopyridines and Pyrazolopyrimidinones Under Microwave Irradiation

  摘要：

  The direct reaction of o-aminopyrazocarbonitriles and carbonyl compounds to afford pyrazolopyrimidinones was discovered; hence, a simultaneous synthetic method for pyrazolopyridines and pyrazolopyrimidinones was achieved. Under microwave irradiation, better yields of products than those of conventional method were given.

  DOI：

  10.1080/00397910902883629

文献信息

• Simultaneous Synthesis of Pyrazolopyridines and Pyrazolopyrimidinones Under Microwave Irradiation
  作者：Li-Jun Zhang、Da-Xin Shi、Jia-Rong Li

  DOI：10.1080/00397910902883629

  日期：2009.10.21

  The direct reaction of o-aminopyrazocarbonitriles and carbonyl compounds to afford pyrazolopyrimidinones was discovered; hence, a simultaneous synthetic method for pyrazolopyridines and pyrazolopyrimidinones was achieved. Under microwave irradiation, better yields of products than those of conventional method were given.