3-benzyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol | 140397-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-benzyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol
• CAS: 140397-87-1
• 化学式: C₁₅H₁₃N₃O
• 分子量: 251.288
• InChiKey: LGSISUDTJFJLBH-UHFFFAOYSA-N

物化性质

• 沸点：
  457.5±35.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  50.94
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-(3-benzyl-5-ethoxy-1H-pyrazol-1-yl)pyridine 在 三溴化硼 、 水 作用下， 以 二氯甲烷 、 乙醇 为溶剂， 反应 48.0h， 以39%的产率得到3-benzyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol
  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

文献信息

• PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME
  申请人：Bae Yun Soo

  公开号：US20120232117A1

  公开（公告）日：2012-09-13

  The present invention provides pyrazole derivative compounds and pharmaceutically acceptable salts thereof. The compounds of the present invention have an excellent effect of preventing and treating osteoporosis.

  本发明提供吡唑衍生物化合物及其药用可接受盐。本发明的化合物具有预防和治疗骨质疏松症的优异效果。
• COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE
  申请人：Bae Yun Soo

  公开号：US20140088152A1

  公开（公告）日：2014-03-27

  The present invention provides a composition comprising a pyrazole derivative compound and a pharmaceutically acceptable salt thereof. The composition is remarkably effective for preventing and treating cardiovascular diseases.

  本发明提供了一种包含吡唑衍生物化合物及其药学上可接受的盐的组合物。该组合物对于预防和治疗心血管疾病具有显著的效果。
• Pyrazole derivatives, preparation method thereof, and composition for prevention and treatment of osteoporosis containing same
  申请人：Bae Yun Soo

  公开号：US08637674B2

  公开（公告）日：2014-01-28

  The present invention provides pyrazole derivative compounds and pharmaceutically acceptable salts thereof. The compounds of the present invention have an excellent effect of preventing and treating osteoporosis.

  本发明提供吡唑衍生物化合物及其药学上可接受的盐。本发明的化合物具有优异的预防和治疗骨质疏松症的效果。
• US8637674B2
  申请人：——

  公开号：US8637674B2

  公开（公告）日：2014-01-28