3,5-bis(3-methoxyphenyl)-1H-pyrazole | 1159988-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-bis(3-methoxyphenyl)-1H-pyrazole
• CAS: 1159988-49-4
• 化学式: C₁₇H₁₆N₂O₂
• mdl: MFCD08552881
• 分子量: 280.326
• InChiKey: MCIHZKAEEMHEPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-bis(3-methoxyphenyl)-1H-pyrazole 在 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以43%的产率得到4,4-difluoro-3,5-bis(3-methoxyphenyl)-4H-pyrazole
  参考文献：
  名称：

  Synthesis of 4,4-Difluoro-1H-pyrazole Derivatives

  摘要：

  Fluorination of 3,5-diarylpyrazole substrates by Selectfluor (TM) in acetonitrile gave 4,4-difluoro-1H-pyrazoles in addition to 4-fluoropyrazole derivatives. The structure of this new class of fluorinated heterocycle was established by X-ray crystallography.

  DOI：

  10.1055/s-0034-1378915

文献信息

• Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles
  申请人：Barrow James C.

  公开号：US20110081297A1

  公开（公告）日：2011-04-07

  The present invention relates to novel amyloid binding compounds and methods for measuring effects of the compounds, by measuring changes of amyloid plaque level in living patients. More specifically, the present invention relates to a method of using the compounds of this invention as tracers in positron emission tomography (PET) imaging to study amyloid deposits in brain in vivo to allow diagnosis of Alzheimer's disease. Thus, the present invention relates to use of the novel amyloid binding compounds as a diagnostic. The invention further relates to a method of measuring clinical efficacy of Alzheimer's disease therapeutic agents. Specifically, the present invention relates to novel aryl or heteroaryl substituted pyrazole derivatives, compositions, and therapeutic uses and processes for making such compounds.

  本发明涉及新型淀粉样蛋白结合化合物及测量这些化合物效果的方法，通过测量活体患者淀粉样斑块水平的变化来实现。更具体地说，本发明涉及使用本发明化合物作为追踪剂在正电子发射断层扫描（PET）成像中研究体内脑部淀粉样沉积，以诊断阿尔茨海默病。因此，本发明涉及将新型淀粉样蛋白结合化合物用作诊断工具。本发明还涉及测量阿尔茨海默病治疗药物的临床疗效的方法。具体而言，本发明涉及新型芳基或杂环芳基取代的吡唑衍生物、组成物以及制备这些化合物的治疗用途和过程。
• Synthesis of 4,4-Difluoro-1H-pyrazole Derivatives
  作者：Graham Sandford、Jessica Breen、Bhairavi Patel、Jonathan Fray

  DOI：10.1055/s-0034-1378915

  日期：——

  Fluorination of 3,5-diarylpyrazole substrates by Selectfluor (TM) in acetonitrile gave 4,4-difluoro-1H-pyrazoles in addition to 4-fluoropyrazole derivatives. The structure of this new class of fluorinated heterocycle was established by X-ray crystallography.