4-bromo-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene | 933674-89-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-bromo-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
• CAS: 933674-89-6
• 化学式: C₈H₃BrF₆O
• 分子量: 309.006
• InChiKey: DTCUJNHGVFXHIE-UHFFFAOYSA-N

物化性质

• 沸点：
  185.7±40.0 °C(Predicted)
• 密度：
  1.721±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-propyl-6-trimethylstannanyl-pyrimidine-2-carbonitrile 、 4-bromo-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-Propyl-6-(4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
  参考文献：
  名称：

  2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors

  摘要：

  Starting from previously disclosed equally potent cathepsin K and S inhibitor 4-propyl-6-(3-trifluoromethylphenyl) pyrimidine-2-carbonitrile 1, a novel 2-phenyl-9H-purine-6-carbonitrile scaffold was identified to provide potent and selective cathepsin S inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.049

文献信息

• SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20190308950A1

  公开（公告）日：2019-10-10

  Substituted pyrimidine and pyridines as NR2B receptor ligands. Such compounds may be used in NR2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by NR2B receptor activity.

  用嘧啶和吡啶替代作为NR2B受体配体。这些化合物可用于NR2B受体调节以及用于治疗由NR2B受体活性介导的疾病状态、紊乱和病况的药物组合物和方法。
• Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US11008302B2

  公开（公告）日：2021-05-18

  Substituted pyrimidine and pyridines as NR2B receptor ligands, for example Such compounds may be used in NR2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by NR2B receptor activity.

  作为 NR2B 受体配体的取代嘧啶和吡啶，例如 这类化合物可用于 NR2B 受体调节以及治疗由 NR2B 受体活性介导的疾病状态、失调和病症的药物组合物和方法中。
• OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3768684A1

  公开（公告）日：2021-01-27
• [EN] OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS<br/>[FR] INHIBITEURS D'OXAZINE MO NO AC YLG LYCE RO L LIPASE (MAGL)
  申请人：HOFFMANN LA ROCHE

  公开号：WO2019180185A1

  公开（公告）日：2019-09-26

  The invention provides new heterocyclic compounds having the general formula (Ic) wherein A, L, X, m, n and R20 to R23 are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.
• [EN] SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS<br/>[FR] PYRIDINE ET PYRIMIDINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QUE MODULATEURS DU RÉCEPTEUR GLUN2B
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019193516A2

  公开（公告）日：2019-10-10

  Substituted pyrimidine and pyridines as NR2B receptor ligands. Such compounds may be used in NR2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by NR2B receptor activity.