2,4,6-Tris(perfluoror-6-methyl-5-oxaheptyl)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(perfluoror-6-methyl-5-oxaheptyl)pyrimidine
• 英文别名: 2,4,6-Tris[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]pyrimidine；2,4,6-tris[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]pyrimidine
• 化学式: C₂₅HF₄₅N₂O₃
• 分子量: 1232.22
• InChiKey: BQMHCXBYPBEAEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  75
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  50

反应信息

• 作为产物：
  描述：

  2,4,6-三氯嘧啶 、 1,1,2,2,3,3,4,4-八氟-1-[(1,1,1,2,3,3,3-七氟-2-丙基)氧基]-4-碘丁烷 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7%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.