五氟苯基烟酸酯 | 848347-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 五氟苯基烟酸酯
• 英文名称: pyridine-3-carboxylic acid pentafluorophenyl ester
• 英文别名: Pentafluorophenyl nicotinate；(2,3,4,5,6-pentafluorophenyl) pyridine-3-carboxylate
• CAS: 848347-44-4
• 化学式: C₁₂H₄F₅NO₂
• 分子量: 289.161
• InChiKey: AXHLJDBUUFUDCF-UHFFFAOYSA-N

物化性质

• 熔点：
  65.5 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  五氟苯基烟酸酯 、 (三氟甲基)三甲基硅烷 在 四甲基氟化铵 作用下， 以 乙二醇二甲醚 为溶剂， 以72%的产率得到trimethyl[2,2,2-trifluoro-1-(3-pyridyl)-1-(trifluoromethyl)ethoxy]silane
  参考文献：
  名称：

  Convenient syntheses of 1,1,1,3,3,3-hexafluoro-2-organyl-propan-2-ols and the corresponding trimethylsilyl ethers

  摘要：

  A new convenient synthetic procedure to obtain various 1, 1, 1,3,3,3-hexafluoro-2-organyl-propan-2-ols and the corresponding trimethylsilyl ethers has been worked out starting from anhydrides or activated esters of carboxylic acids and trimethyl(trifluoromethyl)silane in the presence of tetramethylammonium fluoride. Conditions for the selective formation of 1, 1, 1,3,3,3-hexafluoro-2-organyl-propan-2-ols as well as the trimethylsilyl derivatives have been found. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.12.023
• 作为产物：
  描述：

  烟酸 、 五氟苯酚 在 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以67%的产率得到五氟苯基烟酸酯
  参考文献：
  名称：

  Convenient syntheses of 1,1,1,3,3,3-hexafluoro-2-organyl-propan-2-ols and the corresponding trimethylsilyl ethers

  摘要：

  A new convenient synthetic procedure to obtain various 1, 1, 1,3,3,3-hexafluoro-2-organyl-propan-2-ols and the corresponding trimethylsilyl ethers has been worked out starting from anhydrides or activated esters of carboxylic acids and trimethyl(trifluoromethyl)silane in the presence of tetramethylammonium fluoride. Conditions for the selective formation of 1, 1, 1,3,3,3-hexafluoro-2-organyl-propan-2-ols as well as the trimethylsilyl derivatives have been found. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.12.023

文献信息

• Convenient syntheses of 1,1,1,3,3,3-hexafluoro-2-organyl-propan-2-ols and the corresponding trimethylsilyl ethers
  作者：L.A. Babadzhanova、N.V. Kirij、Yu.L. Yagupolskii、W. Tyrra、D. Naumann

  DOI：10.1016/j.tet.2004.12.023

  日期：2005.2

  A new convenient synthetic procedure to obtain various 1, 1, 1,3,3,3-hexafluoro-2-organyl-propan-2-ols and the corresponding trimethylsilyl ethers has been worked out starting from anhydrides or activated esters of carboxylic acids and trimethyl(trifluoromethyl)silane in the presence of tetramethylammonium fluoride. Conditions for the selective formation of 1, 1, 1,3,3,3-hexafluoro-2-organyl-propan-2-ols as well as the trimethylsilyl derivatives have been found. (C) 2004 Elsevier Ltd. All rights reserved.