1,1-Dihydroperfluoro-2-(2-(2-methoxyethoxy)ethoxy) ethyl triflate | 152914-85-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 1,1-Dihydroperfluoro-2-(2-(2-methoxyethoxy)ethoxy) ethyl triflate
• 英文别名: [2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethyl] trifluoromethanesulfonate
• CAS: 152914-85-7
• 化学式: C₈H₂F₁₆O₆S
• 分子量: 530.141
• InChiKey: RRTLVOLKFKZHTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  1,1-Dihydroperfluoro-2-(2-(2-methoxyethoxy)ethoxy) ethyl triflate 以 乙腈 为溶剂， 反应 10.0h， 生成 1-(2,2,4,4,5,5,7,7,7-nonafluoro-3,6-dioxaheptyl)-3-(2,2,4,4,5,5,7,7,8,8,10,10,10-tridecafluoro-3,6,9-trioxadecyl)imidazolium nonaflate
  参考文献：
  名称：

  Ag Complexes of NHC Ligands Bearing Polyfluoroalkyl and/or Polyfluoropolyalkoxy Ponytails. Why Are Polyethers More Fluorous Than Alkyls?

  摘要：

  A series of fluorous silver complexes bearing two fluorous NHC ligands was synthesized from bis(polyfluoroallcylated) or bis(polyfluoropolyoxaalkylated) imidazolium salts and silver oxide in acetonitrile. The starting salts were prepared either under conventional conditions in two steps via polyfluoroalkylated imidazoles or preferably directly from imidazole and the respective polyfluoroalkyl triflates or polyfluoropolyoxaalkyl nonaflates bearing a nonfluorinated ethylene or methylene spacer. Surprisingly, striking differences in fluorophilicity were observed for both starting imidazolium salts and target Ag-NHC complexes depending on the type of polyfluorinated chains. While the complexes bearing a polyfluoroalkyl ponytail displayed moderate fluorophilicities f(i), in the range of 0.9-1.8, the presence of fluorinated polyether chains resulted in much higher fluorophilicity reaching for unbranched polyethers values as high as 3.2 with excellent solubility in perfluorinated solvents. For the explanation, DFT calculations on the model imidazolium salts showed that, in contrast to polyfluoroalkyl ponytails pointing out of the imidazolium rings, dominant conformation of the polyfluoropolyether chain is able to shield fluorophobic counteranions against the perfluorinated environment, minimizing thus fluorophobic interactions. We also employed DFT calculations for the confirmation of the higher flexibility of perfluoropolyether chains compared with perfluoroalkyl chains, scanning the energy content of two model compounds, perfluorohexane and perfluoro-3-oxahexane, on their C3-C4 or O-C3 torsion angle.

  DOI：

  10.1021/om201062c
• 作为产物：
  描述：

  2,2-二氟-2-[1,1,2,2-四氟-2-[1,1,2,2-四氟-2-(三氟甲氧基)乙氧基]乙氧基]-乙醇 、 三氟甲磺酸酐 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 以2.02 g的产率得到1,1-Dihydroperfluoro-2-(2-(2-methoxyethoxy)ethoxy) ethyl triflate
  参考文献：
  名称：

  化合物

  摘要：

  提供显示离子导电性和液晶相的广温度范围化合物。化合物由式（1）表示。R1-R2-O-CH2-CF2-(-O-CF2-CF2-)n-O-R3（1）、-CF3（31）-CF2-CH2-OH（32）、-CF2-CH2-O-COOCH3（33）[n为2〜4的整数；R1为C4〜20（最好为C5〜10）的直链烷基或直链醚基；R2为单键或双键基，最好为式（21）〜（23）；R3为单价有机基，最好为式（31）〜（33）。]【选择图】无

  公开号：

  JP2017088551A

文献信息

• [EN] FLUOROUS METAL CHELATES COMPOSITIONS<br/>[FR] COMPOSITIONS DE CHÉLATES MÉTALLIQUES FLUORITIQUES
  申请人：THE REGENTS OF THE UNIVEFISITY OF CALIFORNIA

  公开号：WO2020118307A1

  公开（公告）日：2020-06-11

  This disclosure provides compositions of SALTAME core containing compounds and associated methods for use in tracking cells by magnetic resonance imaging (MRI), computed tomography (CT), positron emission tomography (PET), and related methods.

  这份披露提供了含有盐核心的化合物组合物以及用于通过核磁共振成像（MRI）、计算机断层扫描（CT）、正电子发射断层扫描（PET）和相关方法追踪细胞的方法。
• フラーレン誘導体および潤滑剤
  申请人：昭和電工株式会社

  公开号：JP2018203686A

  公开（公告）日：2018-12-27

  【課題】ボンディドレシオが高い潤滑剤層を形成することが可能なフラーレン誘導体の提供。【解決手段】例えば下記の構造式で例示されるフラーレン誘導体。【選択図】なし

  【问题】提供能够形成高Bonded Ratio润滑剂层的富勒烯衍生物。【解决方案】例如，下面的结构式所示的富勒烯衍生物。【选择图】无。
• Liquid crystal compounds having perfluoroether terminal portions
  申请人：Minnesota Mining and Manufacturing Company

  公开号：US05482650A1

  公开（公告）日：1996-01-09

  Fluorine-containing liquid crystal compounds comprise a fluorocarbon terminal portion having at least one catenary ether oxygen and a hydrocarbon terminal portion, the terminal portions being connected by a central core. The compounds have smectic or latent smectic mesophases.

  含氟液晶化合物包括具有至少一个链醚氧和一个烃基末端的氟碳末端部分以及一个中心核心连接的烃基末端部分。该化合物具有列相或潜在的列相中间相。
• LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0638112A1

  公开（公告）日：1995-02-15
• FLUOROUS METAL CHELATES COMPOSITIONS
  申请人：The Regents of the University of California

  公开号：US20220033424A1

  公开（公告）日：2022-02-03

  This disclosure provides compositions of SALTAME core containing compounds and associated methods for use in tracking cells by magnetic resonance imaging (MRI), computed tomography (CT), positron emission tomography (PET), and related methods.