3-ethoxy-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine | 1223597-52-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-ethoxy-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• CAS: 1223597-52-1
• 化学式: C₈H₁₃N₃O
• 分子量: 167.211
• InChiKey: KHEJRNAYHAXMTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-benzyl-3-ethoxy-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1Hpyrazolo[4,3-c]pyridine 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 65.0 ℃ 、2.5 MPa 条件下， 反应 3.0h， 以16%的产率得到3-ethoxy-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  N-arylation of 3-alkoxypyrazoles, the case of the pyridines

  摘要：

  In the course of a research program focused on the preparation of libraries of new chemical entities derived from 3-alkoxypyrazoles, we studied their N-pyridylation using 2, 3 or 4-bromopyridines This was achieved using Cristau and Taillefer copper-catalyzed arylation method and mostly led to the 3-alkoxy-1H-pyrazol-1-yl pyridine isomer along with lesser amount of the alternative 5-alkoxy-1H-pyrazol-1-yl pyridine The structures of these isomers were often established via their chemical tansformations and sometimes recourse to unambiguous synthetic routes for comparison purposes The alternative use of 2-fluoropyridine-based arylation was also investigated and lifted some of the limitations encountered in the course of this study (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.032