2-nitro-4-(1,1,2,2-tetrafluoro-2-(4-(1,1,2,2-tetrafluoroethyl)phenyl)ethyl)benzonitrile | 1161878-93-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-nitro-4-(1,1,2,2-tetrafluoro-2-(4-(1,1,2,2-tetrafluoroethyl)phenyl)ethyl)benzonitrile
• 英文别名: 2-Nitro-4-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethyl]benzonitrile
• CAS: 1161878-93-8
• 化学式: C₁₇H₈F₈N₂O₂
• 分子量: 424.25
• InChiKey: NVKFAMPFHIRICG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  sodium cyanide 、 4-nitro-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane 以 乙腈 为溶剂， 反应 0.5h， 以52%的产率得到2-nitro-4-(1,1,2,2-tetrafluoro-2-(4-(1,1,2,2-tetrafluoroethyl)phenyl)ethyl)benzonitrile
  参考文献：
  名称：

  Novel ring-cleaving reaction of 4-nitro-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane with nucleophiles

  摘要：

  When 4-vitro-AF4 is treated with nucleophiles such as alkoxides and cyanide, a novel ring opening, cyclophane destroying reaction is observed whereby, via an SNAr mechanism, the nucleophile attacks the bridgehead aryl carbon vicinal to the nitro group with subsequent aryl-CF2 bond cleavage. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.08.003

文献信息

• Novel ring-cleaving reaction of 4-nitro-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane with nucleophiles
  作者：William R. Dolbier、Yian Zhai、Wei Xu、Will Wheelus、Florian Dulong、Efram Goldberg、Ion Ghiviriga、Merle A. Battiste

  DOI：10.1016/j.jfluchem.2008.08.003

  日期：2008.12

  When 4-vitro-AF4 is treated with nucleophiles such as alkoxides and cyanide, a novel ring opening, cyclophane destroying reaction is observed whereby, via an SNAr mechanism, the nucleophile attacks the bridgehead aryl carbon vicinal to the nitro group with subsequent aryl-CF2 bond cleavage. (c) 2008 Elsevier B.V. All rights reserved.