环戊基三氟乙酸盐 | 703-13-9

• 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: 环戊基三氟乙酸盐
• 英文名称: cyclopentyl trifluoroacetate
• 英文别名: Cyclopentyl-trifluoracetat；cyclopentyl 2,2,2-trifluoroacetate
• CAS: 703-13-9
• 化学式: C₇H₉F₃O₂
• mdl: MFCD00780932
• 分子量: 182.142
• InChiKey: QCONYJQZFUESJD-UHFFFAOYSA-N

物化性质

• 沸点：
  144.6±35.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2915900090

反应信息

• 作为产物：
  描述：

  以 三氟乙酸 为溶剂， 生成 环戊基三氟乙酸盐
  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

• Synthesis of Carboxylic Acids through the Formation of C–C Bond between Saturated Hydrocarbons and CO in the Presence of Mg/K₂S₂O₈/TFA System
  作者：Mohammad Asadullah、Tsugio Kitamura、Yuzo Fujiwara

  DOI：10.1246/cl.1999.449

  日期：1999.6

  Magnesium powder (Mg) promoted the carboxylation reaction of saturated hydrocarbons with carbon monoxide (CO) in the presence of potassium peroxodisulfate (K2S2O8) in trifluoroacetic acid (TFA) to yield the corresponding carboxylic acids and alkyl trifluoroacetates. About 80% conversion of cyclohexane was achieved when 5 mmol of magnesium, 5 mmol of potassium peroxodisulfate, 3 mL of TFA, 1 mmol of cyclohexane, 50 atm of CO were used at 80 °C for 30 h.

  在三氟乙酸（TFA）中，镁粉（Mg）促进了饱和烃与一氧化碳（CO）在高锰酸钾（K2S2O8）存在下的羧化反应，生成相应的羧酸和烷基三氟乙酸酯。当使用5毫摩尔镁、5毫摩尔高锰酸钾、3毫升TFA、1毫摩尔环己烷、50大气压CO在80°C下反应30小时时，环己烷的转化率约为80%。
• Cobalt catalyzed carboxylation reaction of saturated hydrocarbons with CO in the presence of K2S2O8 and TFA under mild conditions
  作者：Mohammad Asadullah、Yuki Taniguchi、Tsugio Kitamura、Yuzo Fujiwara

  DOI：10.1016/s0040-4039(99)01863-8

  日期：1999.12

  Cobalt(II) acetate (Co(OAc)2) has been found to be an efficient catalyst for the carboxylation reaction of saturated hydrocarbons with CO to yield the corresponding carboxylic acids in high yields in the presence of K2S2O8 and CF3COOH. About 89.5% conversion of propane is obtained in this reaction. The activation parameters of the reaction of propane have been determined by Arrhenius and Eyring plots

  已发现乙酸钴（II）（Co（OAc）2）是一种有效的催化剂，用于在K 2 S 2 O 8和CF存在下，饱和烃与CO进行羧化反应，以高收率产生相应的羧酸。3 COOH。在该反应中获得约89.5％的丙烷转化率。丙烷反应的活化参数已通过Arrhenius和Eyring图确定。
• Enthalpies of hydration of alkenes. 3. Cycloalkenes
  作者：Kenneth B. Wiberg、David J. Wasserman、Eric J. Martin、Mark A. Murcko

  DOI：10.1021/ja00307a030

  日期：1985.10

  Enthalpies de reaction de cyclopentene, cyclohexene, methyl-1 cyclopentene, methylenecyclopentane, methyl-1 cyclohexene, methylenecyclohexane, bicyclo [2.2.1] heptene-2 et bicyclo [2.2.1] hexene-2 avec l'acide trifluoracetique

  环戊烯、环己烯、甲基-1 环戊烯、亚甲基环戊烷、甲基-1 环己烯、亚甲基环己烷、双环 [2.2.1] 庚烯-2 和双环 [2.2.1] 己烯-2 三氟乙酸的反应焓
• Aerobic Partial Oxidation of Alkanes Using Photodriven Iron Catalysis
  作者：Nathan Coutard、Jonathan M. Goldberg、Henry U. Valle、Yuan Cao、Xiaofan Jia、Philip D. Jeffrey、T. Brent Gunnoe、John T. Groves

  DOI：10.1021/acs.inorgchem.1c03086

  日期：2022.1.17

  Photodriven oxidations of alkanes in trifluoroacetic acid using commercial and synthesized Fe(III) sources as catalyst precursors and dioxygen (O2) as the terminal oxidant are reported. The reactions produce alkyl esters and occur at ambient temperature in the presence of air, and catalytic turnover is observed for the oxidation of methane in a pure O2 atmosphere. Under optimized conditions, approximately

  报道了使用商业和合成的 Fe(III) 源作为催化剂前体和分子氧 (O 2 ) 作为末端氧化剂的三氟乙酸中烷烃的光驱动氧化。该反应产生烷基酯并在空气存在下在环境温度下发生，并且在纯 O 2气氛中观察到甲烷氧化的催化转化。在优化条件下，观察到大约 17% 的甲烷转化为三氟乙酸甲酯，选择性超过 50%。证明三氟乙酸甲酯在催化条件下是稳定的，因此不会通过三氟乙酸甲酯的二次氧化形成过氧化产物。
• Hembrock, Annegret; Schaefer, Hans J.; Zimmermann, Gesine, Angewandte Chemie, 1985, vol. 97, # 12, p. 1048 - 1049
  作者：Hembrock, Annegret、Schaefer, Hans J.、Zimmermann, Gesine

  DOI：——

  日期：——

表征谱图