5-methyl-1-(pyridin-2-yl)-1H-pyrazol-3(2H)-one

• 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: 5-methyl-1-(pyridin-2-yl)-1H-pyrazol-3(2H)-one
• 英文别名: 5-methyl-1-pyridin-2-yl-1,2-dihydro-pyrazol-3-one；3-methyl-2-pyridin-2-yl-1H-pyrazol-5-one
• 化学式: C₉H₉N₃O
• 分子量: 175.19
• InChiKey: BRQPZCDCNGKYNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  45.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-isopropoxy-5-methyl-1H-pyrazol-1-yl)pyridine 在 氢溴酸 、 溶剂黄146 作用下， 反应 3.0h， 以46%的产率得到5-methyl-1-(pyridin-2-yl)-1H-pyrazol-3(2H)-one
  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

• New pyrazolones as 11b-HSD1 inhibitors for diabetes
  申请人：Amrein Kurt

  公开号：US20070049574A1

  公开（公告）日：2007-03-01

  Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 4 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

  公式化合物以及医药可接受的它们的盐和酯，其中R1至R4的意义如权利要求1中所给出，可以用作药物组合物。
• Alkoxypyrazoles and the process for their preparation
  申请人：Institut Pasteur

  公开号：EP2151433A1

  公开（公告）日：2010-02-10

  The present invention relates to a alkoxypyrazoles preparation process, and new alkoxypyrazole compounds.

  本发明涉及一种烷氧基吡唑的制备方法，以及新的烷氧基吡唑化合物。
• Substituted anthranilamides for controlling invertebrate pests
  申请人：Finkelstein Lawrence Bruce

  公开号：US20070203201A1

  公开（公告）日：2007-08-30

  This invention provides compounds of Formula I, and N-oxides and salts thereof wherein A, B, R 1 through R 5 , R 7 through R 9 , X and Y are as defined in the disclosure. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound of Formula I. Also disclosed are compositions for controlling an invertebrate pest comprising the compounds of Formula I.

  本发明提供了I式化合物及其N-氧化物和盐，其中A、B、R1至R5、R7至R9、X和Y在说明书中定义。还揭示了用I式化合物的生物有效量接触无脊椎动物害虫或其环境来控制无脊椎动物害虫的方法。还揭示了用I式化合物组成的用于控制无脊椎动物害虫的组合物。
• Pyrazolones as 11b-HSD1 inhibitors for diabetes
  申请人：Hoffman-La Roche Inc.

  公开号：US07652057B2

  公开（公告）日：2010-01-26

  Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R1 to R4 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

  公式为的化合物及其药学上可接受的盐和酯，其中R1到R4具有权利要求1中所给出的意义，可以用作制药组合物的形式。
• PYRAZOLONE DERIVATIVES
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1924562A2

  公开（公告）日：2008-05-28