4,5,6,7-tetrahydro-2,3-diphenyl-pyrazolo<1,5-a>pyridine | 109541-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5,6,7-tetrahydro-2,3-diphenyl-pyrazolo<1,5-a>pyridine
• 英文别名: 2,3-diphenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• CAS: 109541-27-7
• 化学式: C₁₉H₁₈N₂
• 分子量: 274.365
• InChiKey: NJFGPWFGULPXET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  四氢吡啶并[c]悉尼酮 、 二苯基乙炔 以 various solvent(s) 为溶剂， 反应 24.0h， 以91%的产率得到4,5,6,7-tetrahydro-2,3-diphenyl-pyrazolo<1,5-a>pyridine
  参考文献：
  名称：

  Collibee, William L.; Anselme, Jean-Pierre, Bulletin des Societes Chimiques Belges, 1986, vol. 95, # 8, p. 655 - 662

  摘要：

  DOI：

文献信息

• Thermal Rearrangements of 3,3-Spiroalkylated Pyrazoles: Ring Expansion and Novel Cases of Sequential 1,5-Shifts
  作者：Yao-pin Yen、Shih-Feng Chen、Zan-Cheng Heng、Jen-Chieh Huang、Li-Chun Kao、Ching-Cheng Lai、R. S. H. Liu

  DOI：10.3987/com-01-9298

  日期：——

  A 3,3-spiro-(cyclopentyl)pyrazole containing electron withdrawing ester groups undergoes readily ring expansion in the form of the van Alphen-Huettel rearrangement. Subsequent post van Alphen-Huettel rearrangement involved a sequence of 1,5-shifts different from that suggested earlier. Reactive intermediates have been isolated and identified. The corresponding phenyl analog does not exhibit post van Alphen-Huettel rearrangement. A rationale for the different behavior is offered. X-Ray crystallography has been applied to differentiate between structurally similar product.