1,2,4,5-tetrafluoro-3-(p-tolylethynyl)-6-(trifluoromethyl)benzene | 1208365-14-3

• 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: 1,2,4,5-tetrafluoro-3-(p-tolylethynyl)-6-(trifluoromethyl)benzene
• 英文别名: 1,2,4,5-tetrafluoro-3-(trifluoromethyl)-6-(2-p-tolylethynyl)benzene；1,2,4,5-Tetrafluoro-3-[2-(4-methylphenyl)ethynyl]-6-(trifluoromethyl)benzene；1,2,4,5-tetrafluoro-3-[2-(4-methylphenyl)ethynyl]-6-(trifluoromethyl)benzene
• CAS: 1208365-14-3
• 化学式: C₁₆H₇F₇
• 分子量: 332.22
• InChiKey: SGJIDYXRBRJBSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  八氟甲苯 、 4-甲苯基乙炔 在 正丁基氯化镁 、 sodium methylate 、 sodium 、 calcium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 0.09h， 以85%的产率得到1,2,4,5-tetrafluoro-3-(p-tolylethynyl)-6-(trifluoromethyl)benzene
  参考文献：
  名称：

  Transition-Metal-Free Sonogashira-Type Cross-Coupling of Alkynes with Fluoroarenes

  摘要：

  A novel, inexpensive, and efficient palladium-, copper-, ligand-, and amine-free Sonogashira-type cross-coupling reaction of terminal alkynes with unreactive aryl fluorides in the presence of sodium, sodium methoxide, and calcium hydroxide under the assistance of a Grignard reagent was developed. A plausible mechanism was also suggested.

  DOI：

  10.1021/ol401317m

文献信息

• Wei, Ye; Zhao, Huaiqing; Kan, Jian, Journal of the American Chemical Society, 2010, vol. 132, p. 2522 - 2523
  作者：Wei, Ye、Zhao, Huaiqing、Kan, Jian、Su, Weiping、Hong, Maochun

  DOI：——

  日期：——
• Transition-Metal-Free Sonogashira-Type Cross-Coupling of Alkynes with Fluoroarenes
  作者：Guanyi Jin、Xuxue Zhang、Song Cao

  DOI：10.1021/ol401317m

  日期：2013.6.21

  A novel, inexpensive, and efficient palladium-, copper-, ligand-, and amine-free Sonogashira-type cross-coupling reaction of terminal alkynes with unreactive aryl fluorides in the presence of sodium, sodium methoxide, and calcium hydroxide under the assistance of a Grignard reagent was developed. A plausible mechanism was also suggested.