Pentaflourbenzyl-o-tolylether | 136561-26-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Pentaflourbenzyl-o-tolylether
• 英文别名: 1,2,3,4,5-Pentafluoro-6-[(2-methylphenoxy)methyl]benzene
• CAS: 136561-26-7
• 化学式: C₁₄H₉F₅O
• 分子量: 288.217
• InChiKey: MBFFTBMRYDHHLM-UHFFFAOYSA-N

物化性质

• 沸点：
  288.5±35.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  邻甲酚 、 α-溴-2,3,4,5,6-五氟甲基苯酸酯 在 18-冠醚-6 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 3.0h， 生成 Pentaflourbenzyl-o-tolylether
  参考文献：
  名称：

  Analysis of Airborne Carboxylic Acids and Phenols as Their Pentafluorobenzyl Derivatives:  Gas Chromatography/Ion Trap Mass Spectrometry with a Novel Chemical Ionization Reagent, PFBOH

  摘要：

  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.

  DOI：

  10.1021/es970526s

文献信息

• AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF
  申请人：Ogura Hironobu

  公开号：US20100190754A1

  公开（公告）日：2010-07-29

  An azolylmethylidenehydrazine derivative represented by the formula (I) wherein Ar is an aryl group optionally having substituent(s) or a heteroaryl group optionally having substituent(s), R 1 and R 2 are the same or different and each is an alkyl group, a cycloalkyl group, an aralkyl group optionally having substituent(s), an aryl group optionally having substituent(s), a heteroarylalkyl group optionally having substituent(s), or R 1 and R 2 are bonded to each other to form a nitrogen-containing heterocyclic group optionally having substituent(s), and X is CH or a nitrogen atom, or a pharmacologically acceptable salt thereof is useful as a medicament, particularly as an antifungal agent, or an anti-inflammatory agent or an antiallergic agent.

  一种以式(I)表示的氮杂环甲基亚唑啉衍生物，其中Ar是一个芳基基团，可选择地具有取代基，或者是一个杂芳基基团，可选择地具有取代基；R1和R2相同或不同，每个都是一个烷基基团、环烷基基团、可选择地具有取代基的芳基烷基基团、可选择地具有取代基的芳基基团、可选择地具有取代基的杂芳基烷基基团，或者R1和R2彼此连接形成一个可选择地具有取代基的含氮杂环基团；X是CH或氮原子；或其药学上可接受的盐，可用作药物，特别是作为抗真菌药物、抗炎药物或抗过敏药物。
• US8022072B2
  申请人：——

  公开号：US8022072B2

  公开（公告）日：2011-09-20
• 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.