2,7-bis(2,2,2-trifluoroethyl)naphthalene | 1312023-67-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,7-bis(2,2,2-trifluoroethyl)naphthalene
• 英文别名: 2,7-Bis(2,2,2-trifluoroethyl)naphthalene
• CAS: 1312023-67-8
• 化学式: C₁₄H₁₀F₆
• 分子量: 292.224
• InChiKey: LRBJNQNJNDKGAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,7-双(溴甲基)萘 、 二苯基(三氟甲基)锍三氟甲磺酸盐 在 铜 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 11.0h， 以83%的产率得到2,7-bis(2,2,2-trifluoroethyl)naphthalene
  参考文献：
  名称：

  Cu-Mediated Chemoselective Trifluoromethylation of Benzyl Bromides Using Shelf-Stable Electrophilic Trifluoromethylating Reagents

  摘要：

  Copper-mediated chemoselective trifluoromethylation at the benzylic :position by the use of shelf-stable electrophilic trifluoromethylating reagents 3 in good to high yields under mild conditions is described for the first time. The generality of this trifluoromethylation for a wide variety of benzyl bromides facilitates the rapid creation of structural diversity of medicinal candidates in drug discovery.

  DOI：

  10.1021/ol201205t

文献信息

• Cu-Mediated Chemoselective Trifluoromethylation of Benzyl Bromides Using Shelf-Stable Electrophilic Trifluoromethylating Reagents
  作者：Hiroyuki Kawai、Tatsuya Furukawa、Yoshinori Nomura、Etsuko Tokunaga、Norio Shibata

  DOI：10.1021/ol201205t

  日期：2011.7.15

  Copper-mediated chemoselective trifluoromethylation at the benzylic :position by the use of shelf-stable electrophilic trifluoromethylating reagents 3 in good to high yields under mild conditions is described for the first time. The generality of this trifluoromethylation for a wide variety of benzyl bromides facilitates the rapid creation of structural diversity of medicinal candidates in drug discovery.