Perfluoro 18-crown-6 | 97571-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环化合物
• 英文名称: Perfluoro 18-crown-6
• 英文别名: 2,2,3,3,5,5,6,6,8,8,9,9,11,11,12,12,14,14,15,15,17,17,18,18-Tetracosafluoro-1,4,7,10,13,16-hexaoxacyclooctadecane
• CAS: 97571-70-5
• 化学式: C₁₂F₂₄O₆
• 分子量: 696.09
• InChiKey: RSNXIPBLWGEYLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  34 °C
• 沸点：
  181.5±35.0 °C(Predicted)
• 密度：
  1.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  18-冠醚-6 以33%的产率得到
  参考文献：
  名称：

  Lin TzuhnYuan, Lin Wen-Huey, Clark Wayne D., Lagow Richard J., Larson Ste+, J. Amer. Chem. Soc, 116 (1994) N 12, S 5172- 5179

  摘要：

  DOI：

文献信息

• Synthesis and Chemistry of Perfluoro Macrocycles
  作者：Tzuhn-Yuan Lin、Wen-Huey Lin、Wayne D. Clark、Richard J. Lagow、Steven B. Larson、Stanley H. Simonsen、Vincent M. Lynch、Jennifer S. Brodbelt、Simin D. Maleknia、Chien-Chung Liou

  DOI：10.1021/ja00091a022

  日期：1994.6

  hydrocarbon analogues, these perfluoromacrocycles are very stable materials which should have a number of applications. The crystal structures of perfluoro-18-crown-6 and of a perfluorodicyclohexano-18-crown-6 isomer are reported. Gas-phase studies with several perfluoro crown ethers and with the perfluorocryptand [222] have shown that such macrocycles tenaciously bind O[sub 2][sup [minus]] and F[sup [minus]]

  全氟大环 perfluoro-18-crown-6, perfluoro-12-crown-4, perfluoro-15-crown-5, perfluoro-cyclohexano-15-crown-5, perfluorodicyclohexano-18-crown-6, perfluorodicyclohexano-24-crown -8, 和 perfluoro-4,7,13,16,21,24-hexaoxa-1, 10-diazabicyclo[8,8,8] hexacosane(perfluorocryptand [222]) 已经通过精心控制的元素氟化制备。尽管它们的碱比它们的烃类似物弱得多，但这些全氟大环是非常稳定的材料，应该有许多应用。报告了全氟-18-冠-6 和全氟二环己基-18-冠-6 异构体的晶体结构。使用几种全氟冠醚和全氟穴状配体 [222] 的气相研究表明，此类大环顽固地结合
• The first perfluoro crown ethers
  作者：Wen-Huey Lin、Webb I. Bailey、Richard J. Lagow

  DOI：10.1039/c39850001350

  日期：——

  The first perfluoro crown ethers, perfluoro 18-crown-6, perfluoro 15-crown, and perfluoro 12-crown-4, have been prepared by carefully controlled elemental fluorination; although they are weaker bases than their parent compounds, perfluoro crown ethers are materials which will have a number of applications.

  第一种全氟冠醚，全氟18冠-6，全氟15冠和全氟12冠-4是通过精心控制的元素氟化制得的；尽管它们比母体化合物弱碱，但全氟冠醚是具有许多应用的材料。
• Cellular labeling for nuclear magnetic resonance techniques
  申请人：Carnegie Mellon University

  公开号：EP2319544A1

  公开（公告）日：2011-05-11

  The disclosure provides, in part, fluorocarbon imaging reagents and formulations for the ex vivo labeling of cells. Labeled cells may be detected in vivo or ex vivo by a nuclear magnetic resonance technique, such as magnetic resonance imaging (MRI) or magnetic resonance spectroscopy (MRS). The disclosure additionally provides methods for using the imaging reagents in a variety of clinical procedures.

  本公开内容部分提供了用于体外标记细胞的碳氟化合物成像试剂和制剂。标记的细胞可通过核磁共振技术，如磁共振成像（MRI）或磁共振波谱（MRS）在体内或体外进行检测。本公开还提供了在各种临床程序中使用成像试剂的方法。
• Contrast agent and its use for imaging.
  申请人：Stichting Katholieke Universiteit

  公开号：EP2708244A1

  公开（公告）日：2014-03-19

  The present invention relates to contrast agent enhanced medical diagnostic ultrasound imaging. In particular, contrast agents are provided useful for cell imaging and cell therapy. More in particular, it provides a particle comprising a fluorinated organic compound and a metal. Such particles may be advantageously employed in qualitative or quantitative imaging such as acoustic imaging including photo acoustic and ultrasound imaging, MRI imaging, such as 19F imaging, 1H imaging including T1 and T2 weighted imaging, SPECT, PET, scintigraphy and fluorescence imaging. This may then be employed in cell labeling, microscopy, histology or for imaging vasculature or perfusion in vivo and in vitro.

  本发明涉及造影剂增强型医学诊断超声成像。特别是提供了用于细胞成像和细胞治疗的造影剂。更具体地说，本发明提供了一种由含氟有机化合物和金属组成的颗粒。这种微粒可用于定性或定量成像，如声学成像（包括光声学和超声成像）、核磁共振成像（如 19F 成像）、1H 成像（包括 T1 和 T2 加权成像）、SPECT、PET、闪烁成像和荧光成像。然后可用于细胞标记、显微镜、组织学或体内和体外血管或灌注成像。
• Contrast agent and its use for imaging
  申请人：STICHTING RADBOUD UNIVERSITAIR MEDISCH CENTRUM

  公开号：US11185600B2

  公开（公告）日：2021-11-30

  The present invention relates to contrast agent enhanced medical ultrasound imaging. In particular, the contrast agents provided are useful for cell imaging and cell therapy, as well as in vivo targeting, drug delivery and perfusion or vascular imaging applications. More specifically, it provides a particle comprising a fluorinated organic compound and a metal. Such particles may be advantageously employed in qualitative or quantitative imaging such as acoustic imaging including photoacoustic and ultrasound imaging, MRI imaging, such as 19F imaging, 1H imaging including T1 and T2 weighted imaging, SPECT, PET, scintigraphy, fluorescence imaging and optical coherence imaging and tomographic applications. This may then be employed in cell labeling, microscopy, histology or for imaging vasculature or perfusion in vivo and in vitro.

  本发明涉及造影剂增强医用超声成像。特别是，本发明提供的造影剂可用于细胞成像和细胞治疗，以及体内靶向、给药和灌注或血管成像应用。更具体地说，它提供了一种由含氟有机化合物和金属组成的颗粒。这种微粒可以很好地应用于定性或定量成像，如声成像（包括光声和超声成像）、核磁共振成像（如 19F 成像）、1H 成像（包括 T1 和 T2 加权成像）、SPECT、PET、闪烁成像、荧光成像和光学相干成像以及断层成像应用。然后可用于细胞标记、显微镜、组织学或体内和体外血管或灌注成像。