51-(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)-1,1,1-triphenyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-heptadecaoxahenpentacontane | 1585235-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 51-(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)-1,1,1-triphenyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-heptadecaoxahenpentacontane
• CAS: 1585235-90-0
• 化学式: C₆₈H₈₉F₁₇O₁₇
• 分子量: 1501.42
• InChiKey: DWFXDKVSCKZZJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  102.0
• 可旋转键数：
  63.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  156.91
• 氢给体数：
  0.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  51-(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)-1,1,1-triphenyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-heptadecaoxahenpentacontane 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 以93%的产率得到1-(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxanonatetracontan-49-ol
  参考文献：
  名称：

  Fluorous synthesis of mono-dispersed poly(ethylene glycols)

  摘要：

  Mono-dispersed poly(ethylene glycols) (PEGs) are of great value in the development of biopharmaceuticals. However, tedious synthesis limits the availability of mono-dispersed PEGs. To address this issue, a fluorous synthesis of mono-dispersed PEGs, discretely PEGylated surfactants and F-19 magnetic resonance imaging (MRI) agents has been developed. During the synthesis, both fluorous and normal phase silica gel-based solid-phase extractions were successfully employed to simplify the purifications. This synthesis provided an easy access to valuable mono-dispersed PEGs and related molecules for biomedical application on multi-gram scales. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.047
• 作为产物：
  描述：

  1-(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-ol 、 1,1,1-triphenyl-2,5,8,11-tetraoxatridecan-13-yl 4-methylbenzenesulfonate 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 12.17h， 以88%的产率得到51-(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)-1,1,1-triphenyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-heptadecaoxahenpentacontane
  参考文献：
  名称：

  Fluorous synthesis of mono-dispersed poly(ethylene glycols)

  摘要：

  Mono-dispersed poly(ethylene glycols) (PEGs) are of great value in the development of biopharmaceuticals. However, tedious synthesis limits the availability of mono-dispersed PEGs. To address this issue, a fluorous synthesis of mono-dispersed PEGs, discretely PEGylated surfactants and F-19 magnetic resonance imaging (MRI) agents has been developed. During the synthesis, both fluorous and normal phase silica gel-based solid-phase extractions were successfully employed to simplify the purifications. This synthesis provided an easy access to valuable mono-dispersed PEGs and related molecules for biomedical application on multi-gram scales. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.047