甲基4-溴-2,2,3,3,4,4-六氟丁酸酯 | 128160-31-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 甲基4-溴-2,2,3,3,4,4-六氟丁酸酯
• 英文名称: Methyl 4-bromo-2,2,3,3,4,4-hexafluorobutanoate
• CAS: 128160-31-6
• 化学式: C₅H₃BrF₆O₂
• 分子量: 288.972
• InChiKey: ZINPNCTWKSHAJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,4-二溴八氟丁烷 在 甲醇 、 二氧化碳 、 tetrabutylammonium tetrafluoroborate 作用下， 50.0 ℃ 、9.5 MPa 条件下， 生成 1-溴-1,1,2,2,3,3,4,4-七氟丁烷 、 1,8-二溴十六氟辛烷 、 methyl 5-bromo-2,2,3,3,4,4,5,5-octafluoropentanoate 、 甲基4-溴-2,2,3,3,4,4-六氟丁酸酯
  参考文献：
  名称：

  Electrocarboxylation of α,ω-dihaloperfluoroalkanes and of perfluoroalkylhalides in a near-critical and supercritical CO2-methanol medium

  摘要：

  The electrocatalytical carboxylations of some perfluoroalkylhalides and alpha,omega-dihaloperfluoroalkanes on copper and stainless steel electrodes in near-and supercritical CO2-methanol mixtures have been investigated, The main products and intermediates were determined, It was shown that the differences in the composition of products in these two cases indicate quite different catalytic activities of copper and stainless steel electrodes with regard to the electroreduction reactions of the intermediates and quite different adsorptions of these intermediates on the surfaces of the electrodes. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(97)00131-0

文献信息

• Electrocarboxylation of α,ω-dihaloperfluoroalkanes and of perfluoroalkylhalides in a near-critical and supercritical CO2-methanol medium
  作者：V.M. Mazin、E.I. Mysov、S.R. Sterlin、V.A. Grinberg

  DOI：10.1016/s0022-1139(97)00131-0

  日期：1998.2

  The electrocatalytical carboxylations of some perfluoroalkylhalides and alpha,omega-dihaloperfluoroalkanes on copper and stainless steel electrodes in near-and supercritical CO2-methanol mixtures have been investigated, The main products and intermediates were determined, It was shown that the differences in the composition of products in these two cases indicate quite different catalytic activities of copper and stainless steel electrodes with regard to the electroreduction reactions of the intermediates and quite different adsorptions of these intermediates on the surfaces of the electrodes. (C) 1998 Elsevier Science S.A. All rights reserved.