2-bromo-1-(2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)ethan-1-one | 1253279-12-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)ethan-1-one
• CAS: 1253279-12-7
• 化学式: C₁₅H₁₀BrF₃O
• 分子量: 343.143
• InChiKey: KPRGZAFLUBOKDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  乙醛酸甲酯 、 2-bromo-1-(2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)ethan-1-one 在 ammonium acetate 、 氨 作用下， 以 乙腈 、 乙醇 为溶剂， 生成 5-[2'-(trifluoromethyl)-1,1'-biphenyl-3-yl]-1H-imidazole-2-carboxamide
  参考文献：
  名称：

  Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers

  摘要：

  Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. With a goal to develop potent peripherally active sodium channel blockers, a series of low molecular weight biaryl substituted imidazoles, oxazoles, and thiazole carboxamides were identified with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.064
• 作为产物：
  描述：

  1-[3-[2-(三氟甲基)苯基]苯基]乙酮 在 氢溴酸 、 溴 作用下， 以 甲醇 为溶剂， 生成 2-bromo-1-(2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)ethan-1-one
  参考文献：
  名称：

  Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers

  摘要：

  Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. With a goal to develop potent peripherally active sodium channel blockers, a series of low molecular weight biaryl substituted imidazoles, oxazoles, and thiazole carboxamides were identified with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.064