2-[2-[2-[2-[3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate | 939056-49-2

• 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: 2-[2-[2-[2-[3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
• CAS: 939056-49-2
• 化学式: C₂₆H₂₇F₂₇O₁₀S
• 分子量: 1044.52
• InChiKey: YWVNEKRHXSRHGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  64
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  37

反应信息

• 作为反应物：
  描述：

  2-[2-[2-[2-[3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以87%的产率得到1-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethoxy]-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propane
  参考文献：
  名称：

  WO2007/112100

  摘要：

  公开号：
• 作为产物：
  描述：

  13,13,14,14-四甲基-3,6,9,12-四氧杂-13-硅-1-十五醇 在 吡啶 、 四丁基氟化铵 、 potassium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.17h， 生成 2-[2-[2-[2-[3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
  参考文献：
  名称：

  The design and synthesis of highly branched and spherically symmetric fluorinated oils and amphiles

  摘要：

  A new surfactant design principle, based on concepts borrowed from protein science, is proposed. Using this principle, a class of highly branched and spherically symmetric fluorinated oils and amphiles has been designed and synthesized, for potential applications in the construction of fluorocarbon nanoparticles. The Mitsunobu reaction was employed as the key step for introducing three perfluoro-tert-butoxyl groups into pentaerythritol derivatives with excellent yields and extremely simple isolation procedures. Due to the symmetric arrangement of the fluorine atoms, each fluorinated oil or amphile molecule gives one sharp singlet F-19 NMR signal. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.004

文献信息

• The Design and Synthesis of Highly Branched and Spherically Symmetric Fluorinated Macrocyclic Chelators
  作者：Y. Yu、Zhong-Xing Jiang

  DOI：10.1055/s-2007-1000857

  日期：2008.1

  Two novel, highly fluorinated macrocyclic chelators with highly branched and spherically symmetric fluorocarbon moieties have been designed and efficiently synthesized. This is achieved by conjugating a spherically symmetric fluorocarbon moiety to the macrocyclic chelator DOTA, with or without a flexible oligo-oxyethylene linker between these two parts. As a result of the spherical symmetry, all 27 fluorine atoms in each fluorinated chelator give a sharp singlet 19F NMR signal. The hydrophilicity and the 19F relaxation behavior of fluorinated chelators can be modulated by the insertion of a flexible linker between the fluorocarbon moiety and the macrocyclic linker. These chelators serve as prototypes for 1H-19F dual nuclei magnetic resonance imaging agents.

  设计并高效合成了两种新型高度氟化的宏环螯合剂，它们具有高度分支且球形对称的氟碳部分。通过将一个球形对称的氟碳部分与宏环螯合剂DOTA结合，并在两者之间加入或不加入一个柔性的聚氧乙烯连接链，实现了这一合成。由于球形对称性，每个氟化螯合剂中的27个氟原子在19F核磁共振谱中产生一个尖锐的单峰信号。通过在氟碳部分和宏环连接链之间插入一个柔性连接链，可以调节氟化螯合剂的亲水性和19F弛豫行为。这些螯合剂作为1H-19F双核磁共振成像试剂的原型。
• Facile Synthesis of Novel Perfluorocarbon-Modulated 4-Anilinoquinazoline Analogues
  作者：Huiping Shi、Bonan Lai、Shizhen Chen、Xin Zhou、Jing Nie、Jun-An Ma

  DOI：10.1002/cjoc.201700240

  日期：2017.11

  4‐anilinoquinazolines with different substituents on aniline moiety in good to high yields. Furthermore, the PFC‐modified analogues of gefitinib and erlotinib were also obtained in 93% and 90% respectively, which may have potential for developing new inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase and fluorinated contrast agents (CA) for 19F MRI.

  4-苯氨基喹唑啉类似物在许多抑制表皮生长因子受体（EGFR）酪氨酸激酶活性的小分子中脱颖而出，从而成为抗癌药物设计的重要分子靶标。本文中，通过各种苯胺喹唑啉与PFC衍生的甲磺酸盐的亲核取代反应，直接设计和制备了一系列新颖的全氟化碳（PFC）调节的4-苯胺基喹唑啉。在碱的存在下，反应平稳进行，从而以高收率或高收率得到了范围广泛的4-苯胺基喹唑啉，苯胺部分上具有不同的取代基。此外，吉非替尼和厄洛替尼的PFC修饰类似物也分别以93％和90％获得。19 F MRI。
• Peptide-based multimeric targeted contrast agents
  申请人：Zhang Zhaoda

  公开号：US20050074411A1

  公开（公告）日：2005-04-07

  Peptides and peptide-targeted multimeric contrast agents are described, as well as methods of making and using the contrast agents.

  本文描述了肽和肽靶向多聚对比剂，以及制备和使用对比剂的方法。
• HIGHLY FLUORINATED OILS AND SURFACTANTS AND METHODS OF MAKING AND USING SAME
  申请人：Yu Yihua

  公开号：US20090264397A1

  公开（公告）日：2009-10-22

  Disclosed are compounds comprising the structure: In one aspect, the compounds exhibit maximum symmetric branching. Also disclosed are bilayers, micelles, coatings, and nanoparticles comprising the disclosed compounds. Also disclosed are processes for the preparation of the disclosed compounds and methods of using the disclosed compounds. Also disclosed are highly fluorinated dendrons and methods for making same. Also disclosed are methods for Fluorous Mixture Synthesis and tagging. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• US8252778B2
  申请人：——

  公开号：US8252778B2

  公开（公告）日：2012-08-28