4-(p-Tolyloxy)-2-(trifluoromethyl)benzonitrile | 1094272-34-0

• 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-(p-Tolyloxy)-2-(trifluoromethyl)benzonitrile
• 英文别名: 4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
• CAS: 1094272-34-0
• 化学式: C₁₅H₁₀F₃NO
• 分子量: 277.246
• InChiKey: NLEVNQCHSZMRKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对甲酚 、 4-氟-2-(三氟甲基)苯甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(p-Tolyloxy)-2-(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  Diphenyl ethers as androgen receptor antagonists for the topical suppression of sebum production

  摘要：

  A series of diphenyl ethers was prepared and evaluated for androgen receptor antagonist activity in human androgen receptor binding and cellular functional assays. Analogs with potent in vitro activities were evaluated for topical in vivo efficacy in the Golden Syrian Hamster ear model. Several compounds showed reduction in wax esters in this validated animal model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.104

文献信息

• PROCESS FOR THE PREPARATION OF 4-NITRO-2-(TRIFLUOROMETHYL)-BENZONITRILE
  申请人：BASF Agro B.V.

  公开号：EP3696164A1

  公开（公告）日：2020-08-19

  The present invention relates to a process for providing 4-nitro-2-(trifluoromethyl)-benzonitrile and to a process for conventing it to substituted phenoxyphenyl ketones which in their turn are converted to substituted 1-[4-phenoxy-2-(halogenalkyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol compounds.

  本发明涉及一种提供 4-硝基-2-(三氟甲基)-苯甲腈的工艺，以及一种将其转化为取代的苯氧基苯基酮的工艺，而取代的苯氧基苯基酮又可转化为取代的 1-[4-苯氧基-2-(卤代烷基)苯基]-2-(1,2,4-三唑-1-基)乙醇化合物。
• PROCESS FOR THE PREPARATION OF 4-HALOPHENOXY-2-TRIFLUOROMETHYL BENZONITRILE
  申请人：BASF Agro B.V.

  公开号：EP3696165A1

  公开（公告）日：2020-08-19

  The present invention relates to a process for providing 4-halophenoxy-2-trifluoromethyl benzonitrile and to a process for conventing it to substituted phenoxyphenyl ketones which in their turn are converted to substituted 1-[4-phenoxy-2-(halogenalkyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol compounds.

  本发明涉及一种提供 4-卤代苯氧基-2-三氟甲基苯腈的工艺，以及一种将其转化为取代的苯氧基苯基酮的工艺，而取代的苯氧基苯基酮又可转化为取代的 1-[4-苯氧基-2-(卤代烷基)苯基]-2-(1,2,4-三唑-1-基)乙醇化合物。