2-methyl-3-(trifluoromethoxy)thiophene | 1254174-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-methyl-3-(trifluoromethoxy)thiophene
• 英文别名: Thiophene, 2-methyl-3-(trifluoromethoxy)-
• CAS: 1254174-48-5
• 化学式: C₆H₅F₃OS
• 分子量: 182.166
• InChiKey: JVAKRDKHIDFZEG-UHFFFAOYSA-N

物化性质

• 沸点：
  124.9±35.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基噻吩 、 双(三氟甲基)过氧化物 反应 0.17h， 以21.5%的产率得到2-methyl-5-(trifluoromethoxy)thiophene
  参考文献：
  名称：

  Co-thermolysis: a one-pot synthetic method for novel 2-substituted-5-(trifluoromethoxy)thiophenes

  摘要：

  A new 'green' process to obtain trifluoromethoxylated compounds by a gas-phase method has been accomplished. Through it, new 2-substituted-5-(trifluoromethoxy)thiophenes have been obtained in moderate to good yields. Though the reaction occurs in the gas-phase and radicals are involved, an electron transfer mechanism is also postulated to explain the appearance of all detected products. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.111

文献信息

• [EN] PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME<br/>[FR] AGENTS PHARMACEUTIQUES, COMPOSITIONS ET PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE CEUX-CI
  申请人：BIOGEN IDEC INC

  公开号：WO2011050160A1

  公开（公告）日：2011-04-28

  Compounds that are capable of acting as purine receptor antagonists, pharmaceutical compositions including the compounds, and methods of making the compounds, are disclosed. The compounds and compositions can be used in treating or preventing disorders related to purine receptor hyperfunctioning.