1-methyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole | 1311285-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole
• 英文别名: 1-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
• CAS: 1311285-11-6
• 化学式: C₁₆H₂₁BN₂O₂
• 分子量: 284.166
• InChiKey: YVNSJTIBQHAUKY-UHFFFAOYSA-N

物化性质

• 沸点：
  428.2±28.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole 在 potassium osmate(VI) dihydrate 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 、 N-甲基吗啉氧化物 作用下， 以 1,4-二氧六环 、 水 、 丙酮 、 叔丁醇 为溶剂， 反应 6.0h， 生成 1-(9-ethyl-2-(3-(1-methyl-1H-pyrazol-3-yl)phenyl)-6-morpholino-9H-purin-8-yl)ethane-1,2-diol
  参考文献：
  名称：

  [EN] PURINES AND METHODS OF THEIR USE
  [FR] PURINES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.

  公开号：

  WO2023107552A2
• 作为产物：
  描述：

  5-(3-溴苯基)-1H-吡唑 在 bis-triphenylphosphine-palladium(II) chloride potassium acetate 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 1-methyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole
  参考文献：
  名称：

  [EN] NEW IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME
  [FR] NOUVEAU COMPLEXE D'IRIDIUM ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT CELUI-CI

  摘要：

  本发明提供了一种新型铱配合物和包括该配合物的有机发光元件。这种新型铱配合物包括苯基吡唑作为配体，并且具有一种基本骨架，其中嘧啶环与苯环相结合。

  公开号：

  WO2011070992A1

文献信息

• [EN] NOVEL IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME<br/>[FR] NOUVEAU COMPLEXE D'IRIDIUM ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT CELUI-CI
  申请人：CANON KK

  公开号：WO2011070989A1

  公开（公告）日：2011-06-16

  A novel iridium complex includes a ligand including a phenyl ring and a pyrazole ring. The phenyl group is bonded to a triazine ring to form a backbone of the novel iridium complex. An organic light-emitting device includes the novel iridium complex.

  一种新型铱配合物包括一个含有苯环和吡唑环的配体。苯基与三嗪环键合，形成新型铱配合物的骨架。一种有机发光器件包括该新型铱配合物。
• [EN] PYRIDOPYRIMIDINES AND METHODS OF THEIR USE<br/>[FR] PYRIDOPYRIMIDINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]KINETA, INC.

  公开号：WO2023107592A1

  公开（公告）日：2023-06-15

  Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.
• [EN] PYRIMIDINES AND METHODS OF THEIR USE<br/>[FR] PYRIMIDINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]KINETA, INC.

  公开号：WO2023107603A1

  公开（公告）日：2023-06-15

  Disclosed are compounds comprising pyrimidinyl core and pharmaceutical compositions useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases, including FTLD-TDP, chronic traumatic encephalopathy, ALS, Alzheimer's disease, LATE, or frontotemporal lobar degeneration.
• [EN] COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE<br/>[FR] COMPOSÉS ET COMPOSITIONS QUI INHIBENT PIKFYVE
  申请人：[en]KINETA, INC.

  公开号：WO2023107557A1

  公开（公告）日：2023-06-15

  Pyrazolo[1,5-a]pyrimidines are disclosed. These compounds may be useful in the treatment of neurological disorder, including frontotemporal dementia, chronic traumatic encephalopathy, Alzheimer's disease, limbic-predominant age-related TDP-43 encephalopathy, or frontotemporal lobar degeneration. Further, the invention features a method of inhibiting toxicity in a cell related to a protein TDP-43 or C9orf72. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.