tert-butyl heptafluorobutyrate | 425-24-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: tert-butyl heptafluorobutyrate
• 英文别名: t-butyl heptafluorobutyrate；heptafluoro-butyric acid tert-butyl ester；Heptafluor-buttersaeure-tert-butylester；tert-Butyl heptafluorobutanoate；tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
• CAS: 425-24-1
• 化学式: C₈H₉F₇O₂
• mdl: MFCD00443205
• 分子量: 270.147
• InChiKey: JPVACFHILHDRGX-UHFFFAOYSA-N

物化性质

• 沸点：
  115-116 °C
• 密度：
  1.334±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tert-butyl heptafluorobutyrate 生成 3-[5-(2,2,3,3,4,4,4-heptafluorobutyl)-1,2-oxazol-3-yl]-1,1-dimethylurea
  参考文献：
  名称：

  SUMIMOTO, SHINZABURO;ISHIZUKA, ICHIRO;KAI, HIROYUKI;UEDA, SHIRO;TAKASE, A+

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-环氧-1,1,2,3,3,4,4,4-八氟丁烷 、 叔丁醇 在 氢化钾 作用下， 反应 3.0h， 以72%的产率得到tert-butyl heptafluorobutyrate
  参考文献：
  名称：

  Reaction with alcohols of 1-bromo(chloro)-1,2-epoxyheptafluorobutanes and 1,2-epoxyperfluorobutane. Preparation of α-bromo-, α-chloro-, and α-alkoxyhexafluorobutyric acids esters

  摘要：

  1-Bromo(chloro)-1,2-epoxyheptafluorobutanes reacted with primary and secondary alcohols by two concurrent routes giving a mixture of esters of alpha-alkoxy- and alpha-bromo(chloro)-hexafluorobutyric acids with growing content of the latter on increasing the bulk of the nucleophilic agent. 1,2-Epoxyperfluorobutane under the same conditions was converted into alpha-alkoxyhexafluorobutyric acid esters. Reaction of 1-bromo- 1,2-epoxyheptafluorobutane and 1,2-epoxyperfluorobutane with potassium tert-butylate in tert-butanol resulted in tert-butyl alpha-bromohexafluorobutyrate and heptafluorobutyrate respectively due to the forced attack of the bulky nucleophile on the terminal carbon atom of the epoxy ring.

  DOI：

  10.1134/s1070428006110157

文献信息

• The Decomposition of<i>t</i>-Butyl Heptafluoroperoxybutyrate in Aromatic and Aliphatic Solvents
  作者：Hideo Sawada、Hidehiko Hagii、Kazuyoshi Aoshima、Masato Yoshida、Michio Kobayashi

  DOI：10.1246/bcsj.58.3448

  日期：1985.12

  analyses of the thermal decomposition of t-butyl heptafluoroperoxybutyrate (TBH) in benzene, octane, nitrobenzene, pyridine, and methoxybenzene have been carried out. In benzene and octane, the decomposition appears to be entirely a radical process. In nitrobenzene and pyridine, the reactions are found to give ionic decomposition products exclusively. On the other hand, the decomposition of TBH in methoxybenzene

  对七氟过丁酸叔丁酯 (TBH) 在苯、辛烷、硝基苯、吡啶和甲氧基苯中的热分解进行了动力学研究和产物分析。在苯和辛烷中，分解似乎完全是一个激进的过程。在硝基苯和吡啶中，发现这些反应仅产生离子分解产物。另一方面，TBH 在甲氧基苯中的分解具有混合离子和自由基裂解的特征。
• Thermal Decomposition of<i>t</i>-Butyl Heptafluoroperoxybutyrate
  作者：Hideo Sawada、Hidehiko Hagii、Kazuyoshi Aoshima、Takeshi Arai

  DOI：10.1246/bcsj.57.1161

  日期：1984.4

  The decomposition of t-butyl heptafluoroperoxybutyrate (TBH) was studied in both toluene and methanol. Kinetic and product studies from the thermolysis showed that this peroxy ester decomposes heterolytically in nonpolar solvents like toluene with homolysis, whereas in methanol this peroxy ester undergoes principally transesterification.

  在甲苯和甲醇中研究了叔丁基七氟过氧丁酸酯 (TBH) 的分解。热解的动力学和产物研究表明，这种过氧酯在非极性溶剂（如甲苯）中异解分解并发生均裂，而在甲醇中，这种过氧酯主要发生酯交换。
• Polyfluoroalkylisoxazolylamines, their preparation and use
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0220947A2

  公开（公告）日：1987-05-06

  Novel compounds useful as intermediates for synthesizing, inter alia, pesticides and medicines, have the formula: in which: R is an alkyl group having a plurality of fluorines; R1 is hydrogen, alkyl, halogen or optionally substituted phenyl; and R2 is hydrogen or alkyl; and the invention includes salts thereof.

  可用作合成农药和药物等的中间体的新型化合物具有以下式子： 其中 R 是具有多个氟的烷基；R1 是氢、烷基、卤素或任选取代的苯基；R2 是氢或烷基；本发明包括其盐类。
• Relative reactivity of bridgehead adamantyl and homoadamantyl substrates from solvolyses with heptafluorobutyrate as a highly reactive carboxylate leaving group. Absence of SN2 character of solvolysis of tert-butyl derivatives
  作者：Dan Farcasiu、Joachim Jaehme、Christoph Ruechardt

  DOI：10.1021/ja00306a019

  日期：1985.10
• DE836796
  申请人：——

  公开号：——

  公开（公告）日：——