异丙基(三氟甲基)过氧酸酐 | 503187-91-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 异丙基(三氟甲基)过氧酸酐
• 英文名称: 2-methylpropionyltrifluoroacetyl peroxide
• 英文别名: (2,2,2-Trifluoroacetyl) 2-methylpropaneperoxoate；(2,2,2-trifluoroacetyl) 2-methylpropaneperoxoate
• CAS: 503187-91-5
• 化学式: C₆H₇F₃O₄
• 分子量: 200.114
• InChiKey: GVUDMXLAQBFAFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  三氟过氧乙酸 、 异丙基(三氟甲基)过氧酸酐 以 三氟乙酸 为溶剂， 以58%的产率得到1,2-ditrifluoroacetoxypropane
  参考文献：
  名称：

  Heterolytic decarboxylation involving acyltrifluoroacetyl peroxide intermediates

  摘要：

  Selective carboxylic acid decarboxylation was elaborated. Generation of acyltrifluoroacetyl peroxides from carboxylic peracids and trifluoroacetyl anhydride (Method A), as well as from trifluoroperacetic acid and acyltrifluoroacetyl anhydride (Method B), leads to simultaneous peroxide decomposition into the corresponding alkyltrifluoroacetates. DFT computations, as well as experimental data, support an acid-catalyzed heterolytic mechanism for acyltrifluoroacetyl peroxide decomposition. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02151-2
• 作为产物：
  描述：

  2-methylperoxypropionic acid 、 三氟乙酸酐 以 various solvent(s) 为溶剂， 以100%的产率得到异丙基(三氟甲基)过氧酸酐
  参考文献：
  名称：

  Heterolytic decarboxylation involving acyltrifluoroacetyl peroxide intermediates

  摘要：

  Selective carboxylic acid decarboxylation was elaborated. Generation of acyltrifluoroacetyl peroxides from carboxylic peracids and trifluoroacetyl anhydride (Method A), as well as from trifluoroperacetic acid and acyltrifluoroacetyl anhydride (Method B), leads to simultaneous peroxide decomposition into the corresponding alkyltrifluoroacetates. DFT computations, as well as experimental data, support an acid-catalyzed heterolytic mechanism for acyltrifluoroacetyl peroxide decomposition. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02151-2

文献信息

• INERTIZATION OF MATERIAL SURFACES BY FUNCTIONALIZED PERFLUORINATED MOLECULES
  申请人：Technische Universität Berlin

  公开号：US20220176405A1

  公开（公告）日：2022-06-09

  A method for rendering material surfaces inert is provided. Exemplary surfaces include ceramic, metal or plastic surfaces. The method is accomplished with functionalized perfluorinated compounds for the formation of hyperhydrophobic structures on the surfaces to create inert surfaces. The inert surfaces produced or can be produced in this way have an extremely low surface energy, are resistant to deposits of substances or cells and have a very low coefficient of friction. Practical uses of the inert surfaces are also provided.
• Heterolytic decarboxylation involving acyltrifluoroacetyl peroxide intermediates
  作者：Pavel A. Krasutsky、Igor V. Kolomitsyn、Evgenij M. Botov、Robert M. Carlson、Irina G. Semenova、Andrey A. Fokin

  DOI：10.1016/s0040-4039(02)02151-2

  日期：2002.11

  Selective carboxylic acid decarboxylation was elaborated. Generation of acyltrifluoroacetyl peroxides from carboxylic peracids and trifluoroacetyl anhydride (Method A), as well as from trifluoroperacetic acid and acyltrifluoroacetyl anhydride (Method B), leads to simultaneous peroxide decomposition into the corresponding alkyltrifluoroacetates. DFT computations, as well as experimental data, support an acid-catalyzed heterolytic mechanism for acyltrifluoroacetyl peroxide decomposition. (C) 2002 Elsevier Science Ltd. All rights reserved.