1-[3-[2-(三氟甲基)苯基]苯基]乙酮 | 784142-96-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[3-[2-(三氟甲基)苯基]苯基]乙酮
• 英文名称: 1-(2'-trifluoromethyl-1,1'-biphenyl-3-yl)ethanone
• 英文别名: 1-[2'-(Trifluoromethyl)[1,1'-biphenyl]-3-yl]ethanone；1-[3-[2-(trifluoromethyl)phenyl]phenyl]ethanone
• CAS: 784142-96-7
• 化学式: C₁₅H₁₁F₃O
• mdl: MFCD06802066
• 分子量: 264.247
• InChiKey: YAGHSLKAIZLAJS-UHFFFAOYSA-N

物化性质

• 沸点：
  359.9±42.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  1-[3-[2-(三氟甲基)苯基]苯基]乙酮 在 水 、 氢溴酸 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 生成 2,2-dihydroxy-1-[2'-(trifluoromethyl)-1,1'-biphenyl-3-yl]ethanone
  参考文献：
  名称：

  [EN] BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS
  [FR] THIAZOLES, OXAZOLES ET IMIDAZOLES A SUBSTITUTION BIARYLE UTILISES COMME BLOQUEURS DU CANAL SODIQUE

  摘要：

  公开号：

  WO2004094395A3
• 作为产物：
  描述：

  邻溴三氟甲苯 、 3-乙酰基苯硼酸 在 palladium diacetate 、 sodium carbonate 、 三苯基膦 作用下， 以 丙醇 、 水 为溶剂， 生成 1-[3-[2-(三氟甲基)苯基]苯基]乙酮
  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

文献信息

• [EN] BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS<br/>[FR] PYRAZOLES BIARYLE SUBSTITUE UTILISES EN TANT QUE BLOQUEURS DE CANAUX SODIQUES
  申请人：MERCK & CO INC

  公开号：WO2004092140A1

  公开（公告）日：2004-10-28

  Biaryl substituted pyrazole compounds are sodium channel blockers useful for the treatment of pain and other conditions. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treatment of conditions, including acute pain, chronic pain, visceral pain, inflammatory pain, and neuropathic pain, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more therapeutically active compounds.

  双芳基取代吡唑化合物是钠通道阻滞剂，用于治疗疼痛和其他疾病。药物组合物包括有效量的即时化合物，可以单独使用，也可以与一个或多个治疗活性化合物结合，并含有药用可接受的载体。治疗方法包括急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛和神经病性疼痛，包括单独使用或与一个或多个治疗活性化合物结合的即时化合物的有效量的给药。
• Biaryl substituted pyrazoles as sodium channel blockers
  申请人：Chakravarty K Prasun

  公开号：US20060183785A1

  公开（公告）日：2006-08-17

  Biaryl substituted pyrazole compounds are sodium channel blockers useful for the treatment of pain and other conditions. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treatment of conditions, including acute pain, chronic pain, visceral pain, inflammatory pain, and neuropathic pain, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more therapeutically active compounds.

  双芳基取代吡唑化合物是钠通道阻滞剂，可用于治疗疼痛和其他疾病。制药组合物包括有效量的本化合物，单独使用或与一个或多个治疗活性化合物结合，并且含有药用载体。治疗方法包括急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛和神经病理性疼痛，包括单独使用或与一个或多个治疗活性化合物结合的有效量的本化合物的给药。
• Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers
  申请人：Chakravarty K. Prasun

  公开号：US20070060584A1

  公开（公告）日：2007-03-15

  Biaryl substituted thiazole, oxazole and imidazole compounds are sodium channel blockers useful for the treatment of pain. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treatment or prevention of conditions, including acute pain, chronic pain, visceral pain, inflammatory pain, and neuropathic pain comprise administering an effective amount of the present compounds, either alone, or in combination with one or more therapeutically active compounds.

  双芳基取代噻唑、噁唑和咪唑化合物是钠通道阻滞剂，可用于治疗疼痛。制药组合物包括有效量的本化合物，单独或与一个或多个治疗活性化合物组合，并含有药用载体。治疗或预防急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛和神经病理性疼痛的方法包括单独或与一个或多个治疗活性化合物组合，给予本化合物的有效量。
• ACRYLAMIDE COMPOUNDS AND THE USE THEREOF
  申请人：Mikamiyama Hidenori

  公开号：US20120022069A1

  公开（公告）日：2012-01-26

  The invention relates to acrylamide compounds of Formula I mentioned below. The invention is also directed to the use compounds of Formula I to treat or prevent a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及以下式子I的丙烯酰胺化合物。本发明还涉及使用式I的化合物来治疗或预防对钙通道阻滞有反应的疾病，尤其是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• US7589116B2
  申请人：——

  公开号：US7589116B2

  公开（公告）日：2009-09-15