1H,1H-九氟-3,6-二噁-1-庚醇 | 330562-43-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 1H,1H-九氟-3,6-二噁-1-庚醇
• 英文名称: 1H,1H-nonafluoro-3,6-dioxaheptan-1-ol
• 英文别名: 1H,1H-nonfluoro-3,6-dioxaheptan-1-ol；2-(2-(trifluoromethoxy)tetrafluoroethoxy)-2,2-difluoroethanol；2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanol
• CAS: 330562-43-1
• 化学式: C₅H₃F₉O₃
• 分子量: 282.063
• InChiKey: MRBIEXKSTURAOV-UHFFFAOYSA-N

物化性质

• 沸点：
  117
• 密度：
  1.654±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  12

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  1H,1H-九氟-3,6-二噁-1-庚醇 在 sodium hydride 作用下， 以 乙腈 为溶剂， 反应 10.0h， 生成 1,3-bis(2,2,4,4,5,5,7,7,7-nonafluoro-3,6-dioxaheptyl)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

文献信息

• Process for controlling cone tilt angle in mixtures of smectic liquid
  申请人：Minnesota Mining and Manufacturing Company

  公开号：US05928562A1

  公开（公告）日：1999-07-27

  A process for controlling the cone tilt angle of a tilted smectic liquid crystal composition comprises the step of combining (a) at least one liquid crystal composition comprising at least one smectic or latent smectic liquid crystal compound comprising (i) an aliphatic fluorocarbon terminal portion comprising a terminal fluoroalkyl or fluoroether group and an alkylene group having at least two carbon atoms and containing at least one catenary ether oxygen atom, (ii) an aliphatic hydrocarbon terminal portion, and (iii) a central core connecting the terminal portions; and (b) at least one liquid crystal composition comprising at least one smectic or latent smectic liquid crystal compound; with the provisos that at least one of the compositions (a) and (b) comprises at least one chiral liquid crystal compound and that the combining of compositions (a) and (b) provides an optically active, tilted chiral smectic liquid crystal composition. The process enables control of cone tilt angle and thereby control of the brightness characteristics of liquid crystal display devices.

  一种用于控制倾斜相液晶组合物锥倾角的方法包括以下步骤：将（a）至少一种包含至少一种含有至少一种脂肪氟碳末端部分的倾斜相或潜在倾斜相液晶化合物的液晶组合物与（i）末端氟烷基或氟醚基团和至少含有两个碳原子的烷基团并且含有至少一个链状醚氧原子的烷基团，（ii）脂肪烃末端部分和（iii）连接末端部分的中心核心；以及（b）至少一种包含至少一种倾斜相或潜在倾斜相液晶化合物的液晶组合物相结合的步骤；但要求至少其中一种组合物（a）和（b）包含至少一种手性液晶化合物，并且组合物（a）和（b）的结合提供了一种光学活性的、倾斜的手性相液晶组合物。该方法使得能够控制锥倾角，从而控制液晶显示设备的亮度特性。
• FUNCTIONALIZED FLUOROPOLYMERS AND ELECTROLYTE COMPOSITIONS
  申请人：Blue Current, Inc.

  公开号：US20160221926A1

  公开（公告）日：2016-08-04

  Provided herein are functionally substituted fluoropolymers suitable for use in liquid and solid non-flammable electrolyte compositions. The functionally substituted fluoropolymers include perfluoropolyethers (PFPEs) having high ionic conductivity. Also provided are non-flammable electrolyte compositions including functionally substituted PFPEs and alkali-metal ion batteries including the non-flammable electrolyte compositions.

  本文提供了功能性取代的氟聚合物，适用于液体和固体的无火电解质组成。这些功能性取代的氟聚合物包括具有高离子导电性的全氟聚醚（PFPEs）。还提供了包括功能性取代的PFPEs的无火电解质组成和碱金属离子电池，其中包括了这种无火电解质组成。
• Synthesis of 2,2,6,6-tetrafluoro-4-phenylmethylmorpholin-3-ones: A simple approach from fluorinated triethylene glycol
  作者：Zhuo Zeng、Jean’ne M. Shreeve

  DOI：10.1016/j.jfluchem.2009.05.014

  日期：2009.8

  lmethylmorpholin-3-ones are obtained from a new single step, preparative route by reacting triethylene glycol di(trifluoromethanesulfonate), which contains poly –CF2O– groups, with benzylamine. Reaction of trifluoromethylsulfonate and trifluoromethoxy derivatives with benzylamine gave either the nucleophilically-substituted product or the product resulting from the basic hydrolysis of the difluoromethoxy

  2,2,6,6-四氟-4-苯基甲基吗啉-3-酮是通过一个新的制备步骤，通过使包含聚-CF 2 O-基团的三甘醇二（三氟甲磺酸盐）与苄胺反应而制得的。三氟甲基磺酸盐和三氟甲氧基衍生物与苄胺的反应得到亲核取代的产物或由二氟甲氧基的碱性水解得到的产物。通过三氟甲磺酸氟代烷基二烷基酯和苄基胺的组合，用氟代烷烃取代氟醚链产生了氟化的苯基甲基哌啶和苯基甲基a庚因。
• Photophysical and photochemical properties of fluoroether-substituted zinc(II) and titanium(IV) phthalocyanines
  作者：İlke Gürol、Gülay Gümüş、Deniz Kutlu Tarakci、Ömer Güngör、Mahmut Durmuş、Vefa Ahsen

  DOI：10.1142/s1088424618500074

  日期：2018.1

  The synthesis and characterization of novel zinc(II) (1a–4a) and oxo-titanium(IV) (1b–4b) phthalocyanine derivatives bearing 1H,1H-nona?uoro-3,6-dioxaheptan-1-ol groups are described for the first time. These phthalocyanines (1a–4a and 1b–4b) were characterized by elemental analysis and different spectroscopic techniques such as UV-vis, [Formula: see text]H NMR, FTIR and mass. Furthermore, the photophysical (fluorescence quantum yields and lifetimes) and photochemical (singlet oxygen generation and photodegradation) properties of these phthalocyanines were investigated in tetrahydrofuran (THF) solution. The influence of the number of the substituted groups (tetra or octa), position of the substituents (peripheral or non-peripheral) and central metal atom (zinc or titanium) on the photophysical and photochemical properties of these phthalocyanines were evaluated.

  本文首次描述了带有 1H,1H-nona?uoro-3,6-dioxaheptan-1-ol 基团的新型锌（II）（1a-4a）和氧代钛（IV）（1b-4b）酞菁衍生物的合成和表征。这些酞菁（1a-4a 和 1b-4b）通过元素分析和不同的光谱技术（如紫外-可见光、[式：见正文]H NMR、傅立叶变换红外光谱和质量）进行了表征。此外，还研究了这些酞菁在四氢呋喃（THF）溶液中的光物理（荧光量子产率和寿命）和光化学（单线态氧生成和光降解）特性。评估了取代基的数目（四或八）、取代基的位置（外围或非外围）以及中心金属原子（锌或钛）对这些酞菁的光物理和光化学特性的影响。
• Synthesis and characterization of novel fluoroether-substituted phthalocyanines
  作者：İlke Gürol、Gülay Gümüş、Vefa Ahsen

  DOI：10.1016/j.jfluchem.2012.06.023

  日期：2012.10

  The synthesis of 1H,1H-nonafluoro-3,6-dioxaheptan-1-ol with 4-nitrophthalonitrile and 4,5-dichlorophthalonitrile in the presence of K2CO3 leads to the formation of 4-2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}phthalonitrile (1), 4-chloro-5-2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy] ethoxy)-phthalonitrile (2), and 4,5-bis2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}phthalonitrile (3), respectively. Metal free phthalocyanines were synthesized by tetramerization of the phthalonitriles in 2-(dimethylamino)ethanol while metallophthalocyanines were prepared in the presence of zinc, cobalt or nickel salts. The new compounds were characterized by elemental analysis. IR, H-1, and F-19 NMR and UV-Vis spectroscopy as well as mass spectrometry. The fluoroether substituted Pcs are best soluble in polar solvents such as acetone and THF. Crown Copyright (C) 2012 Published by Elsevier B.V. rights reserved.