trifluoromethyl acetate | 74123-20-9

• 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: trifluoromethyl acetate
• 英文别名: trifluoromethylacetate；Trifluormethylacetat
• CAS: 74123-20-9
• 化学式: C₃H₃F₃O₂
• 分子量: 128.051
• InChiKey: LRFUMYYTRFKMMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲基(三氟甲基)-1,3-二环氧丙烷 以 四氯化碳 、 氘代氯仿 为溶剂， 反应 0.17h， 以53%的产率得到trifluoromethyl acetate
  参考文献：
  名称：

  Thermally and photochemically initiated radical chain decomposition of ketone-free methyl(trifluoromethyl)dioxirane

  摘要：

  Ketone-free solutions of methyl(trifluoromethyl)dioxirane (1) were obtained for the first time in several inert solvents, which enabled the study of the thermal and photochemical decompositions of dioxirane 1 in gas, solution, and matrix phases. Vacuum flash pyrolysis of dioxirane 1 afforded exclusively methyl trifluoroacetate (3a). Both gas- and liquid-phase photolyses and thermal liquid-phase decomposition of dioxirane 1 involve a radical chain process, initiated by attack of CH3 and CF3 radicals on dioxirane 1 to give alpha-alkoxy-substituted alkoxy radicals as intermediates; the latter are responsible for the production of esters 3a-d. Matrix-phase photolysis of dioxirane 1 led to methyl trifluoroacetate (3a) and 1,1,1-trifluoroethane as main products, while gas-phase pyrolysis gave exclusively the ester 3a.

  DOI：

  10.1021/ja00020a029
• 作为试剂：
  描述：

  甲酸 、 异戊烯醇 在 trifluoromethyl acetate 、 sodium hydrogensulfite 、 1,1,3,3-tetramethyl-2-(1-octyl)guanidine 作用下， 反应 6.0h， 以98.5%的产率得到梨醇酯
  参考文献：
  名称：

  一种3-甲基-2-丁烯-1-醇甲酸酯的合成方法

  摘要：

  本发明属于化学合成技术领域，具体涉及一种3‑甲基‑2‑丁烯‑1‑醇甲酸酯的合成方法。本发明所述的3‑甲基‑2‑丁烯‑1‑醇甲酸酯的合成方法，在现有技术工艺的基础上，选用亚硫酸氢钠为催化剂，进一步提升了3‑甲基‑2‑丁烯‑1‑醇甲酸酯产物的收率，更优选在选定离子液体存在下进行反应，除了有效提升产物收率外，更有效加快了反应时间，在更短的时间内获得了更高的产物收率。

  公开号：

  CN108129301B

文献信息

• Decomposition of dioxiranes induced by dialkyl ethers
  作者：Marta Ferrer、Francisco Sánchez-Baeza、Josefina Casas、Angel Messeguer

  DOI：10.1016/s0040-4039(00)76677-9

  日期：1994.5

  ether), in addition to undergo oxidative cleavage by reaction with methyl(trifluoromethyl)dioxirane or dimethyldioxirane, induce the decomposition of these oxidation reagents in a concentration dependent manner. The identification of compounds derived from reactions with species such as CH3. or CF3CO2. suggests that the above decomposition is a radical chain process.

  除了通过与甲基（三氟甲基）二环氧乙烷或二甲基二环氧乙烷反应进行氧化裂解以外，简单的二烷基醚（即，二乙基醚或二己基醚）还以浓度依赖的方式诱导这些氧化剂的分解。鉴定与诸如CH 3等物质发生反应的化合物。或CF 3 CO 2 。这表明上述分解是一个自由基链过程。
• Thermally and photochemically initiated radical chain decomposition of ketone-free methyl(trifluoromethyl)dioxirane
  作者：Waldemar Adam、Ruggero Curci、Maria Elena Gonzalez Nunez、Rossella Mello

  DOI：10.1021/ja00020a029

  日期：1991.9

  Ketone-free solutions of methyl(trifluoromethyl)dioxirane (1) were obtained for the first time in several inert solvents, which enabled the study of the thermal and photochemical decompositions of dioxirane 1 in gas, solution, and matrix phases. Vacuum flash pyrolysis of dioxirane 1 afforded exclusively methyl trifluoroacetate (3a). Both gas- and liquid-phase photolyses and thermal liquid-phase decomposition of dioxirane 1 involve a radical chain process, initiated by attack of CH3 and CF3 radicals on dioxirane 1 to give alpha-alkoxy-substituted alkoxy radicals as intermediates; the latter are responsible for the production of esters 3a-d. Matrix-phase photolysis of dioxirane 1 led to methyl trifluoroacetate (3a) and 1,1,1-trifluoroethane as main products, while gas-phase pyrolysis gave exclusively the ester 3a.