2,4,6-Tris(perfluorooctyl)pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,4,6-Tris(perfluorooctyl)pyrimidine
• 英文别名: 2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)pyrimidine；2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)pyrimidine
• 化学式: C₂₈HF₅₁N₂
• 分子量: 1334.25
• InChiKey: BRCJHLZXPBOMSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  81
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  53

反应信息

• 作为产物：
  描述：

  2,4,6-三氯嘧啶 、 全氟辛基碘烷 在 2,2'-联吡啶 、 铜 、 二甲基亚砜 作用下， 以 various solvent(s) 为溶剂， 反应 96.0h， 以1%的产率得到
  参考文献：
  名称：

  Perfluoroalkylations and perfluorooxaalkylations. Part 3. Chloro-substituted diazines as substrates in copper-mediated cross-coupling

  摘要：

  The (perfluoroalkyl)- and (perfluorooxaalkyl)diazines, 2,4-bis(perfluorooctyI)pyrimidine (3), 2,4,6-tris(perfluorooctyl)pyrimidine (6a), 2,4,6-tris(perpuoro-6-methyl-5-oxaheptyl)pyrimidine (66), 3,6-bis(perfluorooctyl)pyridiazine (10) and 2,6-bis(perfluorooctyl)pyrazine (13), have been prepared in good yield. This was accomplished by using chloro-substituted diazines as substrates in copper-mediated cross-coupling reactions with perfluoroalkyl and perfluorooxaalkyl iodides. The yields of the cross-coupled products are influenced by the reaction conditions as well as by the structure of the fluoroaliphatic iodides and substrates.

  DOI：

  10.1016/0022-1139(94)03205-e

文献信息

• Perfluoroalkylations and perfluorooxaalkylations. Part 3. Chloro-substituted diazines as substrates in copper-mediated cross-coupling
  作者：Grace J. Chen、Loomis S. Chen

  DOI：10.1016/0022-1139(94)03205-e

  日期：1995.7

  The (perfluoroalkyl)- and (perfluorooxaalkyl)diazines, 2,4-bis(perfluorooctyI)pyrimidine (3), 2,4,6-tris(perfluorooctyl)pyrimidine (6a), 2,4,6-tris(perpuoro-6-methyl-5-oxaheptyl)pyrimidine (66), 3,6-bis(perfluorooctyl)pyridiazine (10) and 2,6-bis(perfluorooctyl)pyrazine (13), have been prepared in good yield. This was accomplished by using chloro-substituted diazines as substrates in copper-mediated cross-coupling reactions with perfluoroalkyl and perfluorooxaalkyl iodides. The yields of the cross-coupled products are influenced by the reaction conditions as well as by the structure of the fluoroaliphatic iodides and substrates.