4-((8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl)oxy)butanyl bromide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-((8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl)oxy)butanyl bromide
• 英文别名: 14-(4-Bromobutoxymethyl)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,27-tetratriacontafluoro-14-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)heptacosane；14-(4-bromobutoxymethyl)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,27-tetratriacontafluoro-14-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)heptacosane
• 化学式: C₄₂H₃₄BrF₅₁O
• 分子量: 1603.55
• InChiKey: CIKMLRAFVXTENC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.1
• 重原子数：
  95
• 可旋转键数：
  39
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  52

反应信息

• 作为反应物：
  描述：

  4-((8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl)oxy)butanyl bromide 在 15-冠醚-5 、 sodium acetate 、 sodium methylate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲醇 为溶剂， 反应 26.0h， 以87%的产率得到4-((8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl)oxy)butanol
  参考文献：
  名称：

  Preparation of acid-resistant heavy fluorous tags for recycling in synthetic systems

  摘要：

  Acid-resistant heavy fluorous tags, in which all three fluorous chains are tethered in a symmetric manner by carbon-carbon linkage, were designed and synthesized from ethyl crotonate. They were designed also to possess a reactive OH group at a central position, not only for conjugation with a target molecule but also for tag recycling. The tag with an alkyl spacer equipped the primary OH group had the greatest reactivity in conjugation reactions with target molecules and could be recovered in the highest yields, implying its potential for use in recycling applications. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.07.014
• 作为产物：
  描述：

  1-(2-(4-((8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl)oxy)butoxy)ethoxy)-4-methylbenzene 在 三乙基硼 作用下， 以 乙酸乙酯 为溶剂， 以95%的产率得到4-((8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl)oxy)butanyl bromide
  参考文献：
  名称：

  Preparation of acid-resistant heavy fluorous tags for recycling in synthetic systems

  摘要：

  Acid-resistant heavy fluorous tags, in which all three fluorous chains are tethered in a symmetric manner by carbon-carbon linkage, were designed and synthesized from ethyl crotonate. They were designed also to possess a reactive OH group at a central position, not only for conjugation with a target molecule but also for tag recycling. The tag with an alkyl spacer equipped the primary OH group had the greatest reactivity in conjugation reactions with target molecules and could be recovered in the highest yields, implying its potential for use in recycling applications. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.07.014

文献信息

• Preparation of acid-resistant heavy fluorous tags for recycling in synthetic systems
  作者：Kazuo Fukuda、Mami Tojino、Kohtaro Goto、Hirofumi Dohi、Yoshihiro Nishida、Mamoru Mizuno

  DOI：10.1016/j.jfluchem.2014.07.014

  日期：2014.10

  Acid-resistant heavy fluorous tags, in which all three fluorous chains are tethered in a symmetric manner by carbon-carbon linkage, were designed and synthesized from ethyl crotonate. They were designed also to possess a reactive OH group at a central position, not only for conjugation with a target molecule but also for tag recycling. The tag with an alkyl spacer equipped the primary OH group had the greatest reactivity in conjugation reactions with target molecules and could be recovered in the highest yields, implying its potential for use in recycling applications. (C) 2014 Elsevier B.V. All rights reserved.