diethyl 1,2,3,4,4,4-hexafluoro-1,3-bis(trifluoromethyl)-butyl phosphonate | 136383-51-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: diethyl 1,2,3,4,4,4-hexafluoro-1,3-bis(trifluoromethyl)-butyl phosphonate
• 英文别名: 2-Diethoxyphosphoryl-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
• CAS: 136383-51-2
• 化学式: C₁₀H₁₁F₁₂O₃P
• 分子量: 438.15
• InChiKey: NHAJWXMIBDIJPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  diethyl 1,2,3,4,4,4-hexafluoro-1,3-bis(trifluoromethyl)-butyl phosphonate 在 (C2H5)3N*BF3 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 diethyl 1,2,4,4,4-pentafluoro-1,3-bis(trifluoromethyl)buten-1-yl phosphonate 、 diethyl 2,3,4,4,4-pentafluoro-1,3-bis(trifluoromethyl)buten-1-yl phosphonate
  参考文献：
  名称：

  Fluoroalkenylphosphonates from branched chain and cyclic perfluoroolefins

  摘要：

  In a Arbuzov-type reaction branched chain and cyclic perfluoroolefins react with trimethylsilyl diethyl phosphite to give new fluorinated alkenylphosphonates. Two internal olefins furnish by a radical addition of dialkyl phosphites fluoroalkylphosphonates, which could be converted using BF3.NEt3 to give the respective fluoroalkenylphosphonates. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2003.11.014
• 作为产物：
  描述：

  在 亚磷酸二乙酯 作用下， 生成 diethyl 1,2,3,4,4,4-hexafluoro-1,3-bis(trifluoromethyl)-butyl phosphonate
  参考文献：
  名称：

  Tumanskii, B. L.; Kadyrov, A. A.; Makarov, K. N., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 51/52, p. 668

  摘要：

  DOI：

文献信息

• EPR study of spin adducts of silyl and phosphonyl radicals with higher internal perfluoroalkenes
  作者：B. L. Tumanskii、A. A. Kadyrov、O. A. Popova、L. T. Lantseva、N. N. Bubnov、S. P. Solodovnikov、K. N. Makarov

  DOI：10.1007/bf00961347

  日期：1991.5

  The EPR method was used to study the structure of spin adducts of silyl and phosphonyl radicals with higher internal perfluoroalkenes. The capacity for spin adducts to split off hydrogen atoms is determined by the degree of steric screening of the free radical center. The preparative photochemical reaction of hydrosilanes and dialkyl phosphites with perfluoro-4-methylpent-2-ene leads to regiospecific hydrosilylation and hydrophosphorylation products with yields up to 80%.