di(1,1,5-trihydro-perfluoropentyl)peroxydicarbonate | 188715-78-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: di(1,1,5-trihydro-perfluoropentyl)peroxydicarbonate
• 英文别名: 1,1'-[Peroxybis(carbonyloxy)]bis(2,2,3,3,4,4,5,5-octafluoropentane)；2,2,3,3,4,4,5,5-octafluoropentoxycarbonyloxy 2,2,3,3,4,4,5,5-octafluoropentyl carbonate
• CAS: 188715-78-8
• 化学式: C₁₂H₆F₁₆O₆
• 分子量: 550.15
• InChiKey: HLPBBZHOQGBZQM-UHFFFAOYSA-N

物化性质

• 沸点：
  289.8±50.0 °C(Predicted)
• 密度：
  1.7167 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  34
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  2,2,3,3,4,4,5,5-octafluoropentyl chloroformate 在 sodium peroxide 作用下， 反应 2.0h， 以80%的产率得到di(1,1,5-trihydro-perfluoropentyl)peroxydicarbonate
  参考文献：
  名称：

  Synthesis and properties of di(polyfluoroalkyl) peroxydicarbonates

  摘要：

  Synthesis of di(polyfluoroalkyl)peroxydicarbonates [X(CF(2)) (n) CH(2)OC(O)O](2), where X = H, F; n = 1, 2, 4, 6 (yield 80%) involves the step of the chloroformate formation (yield up to 93%) via the phosgenation of polyfluorinated alcohols followed by the reaction with sodium peroxide. The rate constant of monomolecular decomposition k (term) was found to decrease as the polyfluoroalkyl groups were incorporated into the peroxide: it equaled 3.30 and 3.10 s(-1) for X = H, n = 2 and 4, respectively, and 7.36 s(-1) for di-n-butylperoxydicarbonate. The new peroxides are a source of the polyfluoroalkoxy radicals and nano-modifiers of the polymers to improve their heat resistance and light stability.

  DOI：

  10.1134/s1070363211050100

文献信息

• Synthesis and properties of di(polyfluoroalkyl) peroxydicarbonates
  作者：A. I. Rakhimov、L. A. Butkovskaya

  DOI：10.1134/s1070363211050100

  日期：2011.5

  Synthesis of di(polyfluoroalkyl)peroxydicarbonates [X(CF(2)) (n) CH(2)OC(O)O](2), where X = H, F; n = 1, 2, 4, 6 (yield 80%) involves the step of the chloroformate formation (yield up to 93%) via the phosgenation of polyfluorinated alcohols followed by the reaction with sodium peroxide. The rate constant of monomolecular decomposition k (term) was found to decrease as the polyfluoroalkyl groups were incorporated into the peroxide: it equaled 3.30 and 3.10 s(-1) for X = H, n = 2 and 4, respectively, and 7.36 s(-1) for di-n-butylperoxydicarbonate. The new peroxides are a source of the polyfluoroalkoxy radicals and nano-modifiers of the polymers to improve their heat resistance and light stability.