Ethanoic acid pentafluorobenzyl ester | 2002-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethanoic acid pentafluorobenzyl ester
• 英文别名: 2,3,4,5,6-Pentafluor-benzylacetat；Pentafluorbenzylacetat；Pentafluorobenzyl acetate；(2,3,4,5,6-pentafluorophenyl)methyl acetate
• CAS: 2002-93-9
• 化学式: C₉H₅F₅O₂
• 分子量: 240.13
• InChiKey: BKWSXTXKQABCID-UHFFFAOYSA-N

物化性质

• 沸点：
  201 °C(Press: 761 Torr)
• 密度：
  1.470±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2915390090

反应信息

• 作为产物：
  描述：

  2,3,4,5,6-五氟甲苯 在 溴 作用下， 生成 Ethanoic acid pentafluorobenzyl ester
  参考文献：
  名称：

  723.多氟芳烃。第四部分 2,3,4,5,6-五氟甲苯及相关化合物

  摘要：

  DOI：

  10.1039/jr9610003719

文献信息

• Selective Determination of Pentafluorobenzyl Ester Derivatives of Carboxylic Acids by GC Using Microwave Plasma and Mass Selective Detection
  作者：Jeffrey H. Brill、Bikshandarkoil A. Narayanan、John P. McCormick

  DOI：10.1366/0003702914335193

  日期：1991.12

  A highly selective, sensitive method for determination of carboxylic acids in water has been developed that is based on fluorine-selective gas chromatography (GC) detection of pentafluorobenzyl ester derivatives. The atmospheric-pressure helium microwave-induced plasma detector is well suited for fluorine-specific detection of these derivatives, which were well resolved by capillary GC and displayed a characteristic fragmentation behavior when examined by GC-mass selective detection. For demonstration purposes, a number of carboxylic acids, ranging from C₁ to C₂₀, were examined and found to be derivatized with yields greater than 90%, and a sample of creek water was examined for its carboxylic acid content.

  已开发出一种基于氟选择性气相色谱（GC）检测五氟苯甲酸酯衍生物的高度选择性、敏感的水中羧酸测定方法。大气压氦微波诱导等离子体检测器非常适合氟特异性检测这些衍生物，这些衍生物通过毛细管GC得到很好的分辨，并在GC-质谱选择性检测时表现出特征性的碎裂行为。为了演示目的，检测了一系列从C1到C20的羧酸，并发现它们的衍生产率大于90％，并对一份小溪水样品进行了羧酸含量检测。
• SUBSTITUTED IMIDAZOLES
  申请人：CHUBB NATHAN ANTHONY LOGAN

  公开号：US20070167506A1

  公开（公告）日：2007-07-19

  This invention relates to a range of alpha substituted 2-benzyl substituted imidazole compounds and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes for their synthesis and their use as parasiticides.

  本发明涉及一系列α取代的2-苄基取代咪唑化合物及其药用可接受盐和溶剂化合物，包括这些化合物的组合物、合成过程以及它们作为驱虫剂的用途。
• Synthesis and characterization of ionic liquid immobilized on magnetic nanoparticles: A recyclable heterogeneous organocatalyst for the acetylation of alcohols
  作者：Arash Ghorbani-Choghamarani、Masoomeh Norouzi

  DOI：10.1016/j.jmmm.2015.10.044

  日期：2016.3

  procedure for the preparation of 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle (TPPA–IL–Fe 3 O 4 ). The structure of this magnetic ionic liquid is fully characterized by FT-IR, TGA, XRD, VSM, SEM, EDX and DLS techniques. TPPA–IL–Fe 3 O 4 is employed as a catalyst for the acetylation of alcohols with acetic anhydride under mild and

  摘要 在此，我们描述了一种简单有效的制备磁性纳米颗粒负载的 3-((3-(三甲硅烷氧基)丙基)丙酰胺)-1-甲基咪唑氯化物离子液体 (TPPA-IL-Fe 3 O 4 ) 的方法。通过FT-IR、TGA、XRD、VSM、SEM、EDX和DLS技术充分表征了这种磁性离子液体的结构。TPPA-IL-Fe 3 O 4 被用作催化剂，在温和和非均相条件下，在室温下用乙酸酐对醇进行乙酰化，收率良好。通过简单的磁性倾析，磁性催化剂可以很容易地从反应介质中分离出来，并且可以重复使用多次而不会显着降低其催化活性。
• Analysis of Airborne Carboxylic Acids and Phenols as Their Pentafluorobenzyl Derivatives:  Gas Chromatography/Ion Trap Mass Spectrometry with a Novel Chemical Ionization Reagent, PFBOH
  作者：Chao-Jung Chien、M. Judith Charles、Kenneth G. Sexton、Harvey E. Jeffries

  DOI：10.1021/es970526s

  日期：1998.1.1

  The complex photochemical transformations of biogenic hydrocarbons such as isoprene and of anthropogenic hydrocarbons such as aromatics are an important source of carboxylic acids in the troposphere. The identification of unknown carboxylic acids can be difficult, however, due to the lack of standards as well as poor sensitivity and lack of selectivity of existing techniques. In this study, we describe the development of a method to analyze airborne carboxylic acids using derivatization with pentafluorobenzyl bromide (PFBBr) followed by capillary gas chromatography/ion trap mass spectrometry (GC/ITMS) analysis. In addition to the typical electron impact ionization (El) and methane chemical ionization (CI) mass spectra of pentafluorobenzyl derivatives, we describe the use of pentafluorobenzyl alcohol (PFBOH) as a novel reagent gas for CIMS. Pentafluorobenzyl ions (m/z = 181) were produced at reduced pressure (1 x 10(-5)-2 x 10(-5) Torr) from PFBOH gas, and the resulting CIMS were characterized by the predominance of the [M + 181](+) ions. The carboxylic acid products in the oxidation of isoprene from indoor and outdoor smog chamber experiments were analyzed using the described PFBBr GC/ITMS method. The formation of methacrylic acid in an isoprene/O-3 reaction was demonstrated experimentally for the first time, and acrylic acid, one of the U.S. EPA 189 Hazardous Air Pollutants, is first reported here as an isoprene oxidation product. In other outdoor toluene/NOx chamber experiments, we detected a series of carboxylic acids and various phenolic compounds using this method.
• Meese, Claus O., Liebigs Annalen der Chemie, 1985, # 8, p. 1711 - 1714
  作者：Meese, Claus O.

  DOI：——

  日期：——