4-chloro-6-(2',4'-difluorophenyl)pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-6-(2',4'-difluorophenyl)pyrimidine
• 英文别名: 4-Chloro-6-(2,4-difluorophenyl)pyrimidine
• 化学式: C₁₀H₅ClF₂N₂
• 分子量: 226.613
• InChiKey: UDBCBBZQFUSFNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-6-(2',4'-difluorophenyl)pyrimidine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 20.0~50.0 ℃ 、500.01 kPa 条件下， 反应 34.0h， 生成 6-(2,4-difluorophenyl)pyrimidine-4-carboxylic acid
  参考文献：
  名称：

  Development of a Series of Aryl Pyrimidine Kynurenine Monooxygenase Inhibitors as Potential Therapeutic Agents for the Treatment of Huntington’s Disease

  摘要：

  We report on the development of a series of pyrimidine carboxylic acids that are potent and selective inhibitors of kynurenine monooxygenase and competitive for kynurenine. We describe the SAR for this novel series and report on their inhibition of KMO activity in biochemical and cellular assays and their selectivity against other kynurenine pathway enzymes. We describe the optimization process that led to the identification of a program lead compound with a suitable ADME/PK profile for therapeutic development. We demonstrate that systemic inhibition of KMO in vivo with this lead compound provides pharmacodynamic evidence for modulation of kynurenine pathway metabolites both in the periphery and in the central nervous system.

  DOI：

  10.1021/jm501350y
• 作为产物：
  描述：

  4,6-二氯嘧啶 、 2,4-二氟苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 8.0h， 以38.2%的产率得到4-chloro-6-(2',4'-difluorophenyl)pyrimidine
  参考文献：
  名称：

  位阻型嘧啶类铱配合物磷光材料及其制备方法

  摘要：

  本发明公开了位阻型嘧啶类铱配合物磷光材料及其制备方法，属于光电磷光材料技术领域。本发明含铱配合物磷光材料的结构通式如式I所示，这些材料具有更加优异的发光性能。此铱配合物包含主配体和辅助配体两部分，主配体为4，6‑二取代嘧啶的衍生物，辅助配体是吡啶三唑的衍生物。本发明首次在嘧啶环上引入了间三甲基苯基团，该基团有较大的空间位阻效应，能够降低分子间的相互作用而对发光波长的影响不大；所获得的嘧啶铱配合物磷光寿命比类似吡啶铱配合物的要短，能有效减少激发态的非辐射跃迁。本发明的铱配合物具有较高的光致发光量子效率和短的磷光寿命以及较低的聚集态磷光淬灭，是性能优异、用途广泛的磷光材料。

  公开号：

  CN106632488A

文献信息

• 位阻型嘧啶类铱配合物磷光材料及其制备方法
  申请人：安徽工业大学

  公开号：CN106632488A

  公开（公告）日：2017-05-10

  本发明公开了位阻型嘧啶类铱配合物磷光材料及其制备方法，属于光电磷光材料技术领域。本发明含铱配合物磷光材料的结构通式如式I所示，这些材料具有更加优异的发光性能。此铱配合物包含主配体和辅助配体两部分，主配体为4，6‑二取代嘧啶的衍生物，辅助配体是吡啶三唑的衍生物。本发明首次在嘧啶环上引入了间三甲基苯基团，该基团有较大的空间位阻效应，能够降低分子间的相互作用而对发光波长的影响不大；所获得的嘧啶铱配合物磷光寿命比类似吡啶铱配合物的要短，能有效减少激发态的非辐射跃迁。本发明的铱配合物具有较高的光致发光量子效率和短的磷光寿命以及较低的聚集态磷光淬灭，是性能优异、用途广泛的磷光材料。
• Pyrimidine derivatives and herbicides containing the same
  申请人：——

  公开号：US20040092402A1

  公开（公告）日：2004-05-13

  The present invention provides a pyrimidine derivative represented by the formula: 1 wherein R 1p and R 1q are the same or different, and each represents (1) hydrogen, (2) halogen, (3) a C 1-6 alkyl group which may be substituted or (4) a C 1-6 alkoxy group, and so on, R 2 is halogen, a C 1-6 alkyl group, cyano group, and so on, Ar is a phenyl group which may be substituted or is a condensed hetero ring which may be substituted, which has excellent selective herbicidal activity, and a herbicide containing the derivative.

  本发明提供了一种由以下式子表示的嘧啶衍生物：1其中R1p和R1q相同或不同，每个代表(1)氢、(2)卤素、(3)可被取代的C1-6烷基或(4)C1-6烷氧基等；R2为卤素、C1-6烷基、氰基等；Ar为苯基，可以被取代，或为可以被取代的融合杂环，该衍生物具有优异的选择性除草活性，以及含有该衍生物的除草剂。
• PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME
  申请人：Sumitomo Chemical Takeda Agro Company, Limited

  公开号：EP1333029A1

  公开（公告）日：2003-08-06

  The present invention provides a pyrimidine derivative represented by the formula: wherein R1p and R1q are the same or different, and each represents (1)hydrogen, (2)halogen, (3) a C1-6alkyl group which may be substituted or (4) a C1-6alkoxy group, and so on, R2 is halogen, a C1-6alkyl group, cyano group, and so on, Ar is a phenyl group which may be substituted or is a condensed hetero ring which may be substituted, which has excellent selective herbicidal activity, and a herbicide containing the derivative.

  本发明提供了一种由式表示的嘧啶衍生物： 其中 R1p 和 R1q 相同或不同，各自代表(1)氢、(2)卤素、(3)可被取代的 C1-6 烷基或 (4)C1-6烷氧基等、 R2是卤素、C1-6烷基、氰基等，Ar是可被取代的苯基或可被取代的缩合杂环，具有优异的选择性除草活性，以及含有该衍生物的除草剂。
• EP1333029
  申请人：——

  公开号：——

  公开（公告）日：——
• Development of a Series of Aryl Pyrimidine Kynurenine Monooxygenase Inhibitors as Potential Therapeutic Agents for the Treatment of Huntington’s Disease
  作者：Leticia M. Toledo-Sherman、Michael E. Prime、Ladislav Mrzljak、Maria G. Beconi、Alan Beresford、Frederick A. Brookfield、Christopher J. Brown、Isabell Cardaun、Stephen M. Courtney、Ulrike Dijkman、Estelle Hamelin-Flegg、Peter D. Johnson、Valerie Kempf、Kathy Lyons、Kimberly Matthews、William L. Mitchell、Catherine O’Connell、Paula Pena、Kendall Powell、Arash Rassoulpour、Laura Reed、Wolfgang Reindl、Suganathan Selvaratnam、Weslyn Ward Friley、Derek A. Weddell、Naomi E. Went、Patricia Wheelan、Christin Winkler、Dirk Winkler、John Wityak、Christopher J. Yarnold、Dawn Yates、Ignacio Munoz-Sanjuan、Celia Dominguez

  DOI：10.1021/jm501350y

  日期：2015.2.12

  We report on the development of a series of pyrimidine carboxylic acids that are potent and selective inhibitors of kynurenine monooxygenase and competitive for kynurenine. We describe the SAR for this novel series and report on their inhibition of KMO activity in biochemical and cellular assays and their selectivity against other kynurenine pathway enzymes. We describe the optimization process that led to the identification of a program lead compound with a suitable ADME/PK profile for therapeutic development. We demonstrate that systemic inhibition of KMO in vivo with this lead compound provides pharmacodynamic evidence for modulation of kynurenine pathway metabolites both in the periphery and in the central nervous system.