2-[2-[2-[2-[2-[2-[2-[2-[[2-Bromo-3-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane | 517915-50-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-[2-[2-[2-[2-[2-[2-[[2-Bromo-3-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane
• 英文别名: 2-[2-[2-[2-[2-[2-[2-[2-[[2-bromo-3-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane
• CAS: 517915-50-3
• 化学式: C₅₄H₈₁BrO₁₈
• 分子量: 1098.13
• InChiKey: ZIKNJLKOEQAZLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  73
• 可旋转键数：
  46
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  166
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2-[2-[2-[2-[2-[2-[2-[2-[[2-Bromo-3-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以94%的产率得到2-[2-[2-[2-[2-[2-[2-[[2-Bromo-3-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethanol
  参考文献：
  名称：

  Synthesis of redox active large macrocyclic hosts and the recognition of secondary ammonium salts

  摘要：

  Interconvertible macrocyclic hosts containing thiol groups or a disulfide linkage in the binding cavity have been synthesized. The binding affinities of the reduced and oxidized forms toward benzylammoium derivatives are completely reverse. Formation of pseudorotaxane is suggested upon the host-guest complexation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01532-6
• 作为产物：
  描述：

  2-溴-1,3-双(溴乙基)苯 、 2-(2-{2-[2-(2-{2-[2-(Tetrahydro-pyran-2-yloxy)-ethoxy]-ethoxy}-ethoxy)-phenoxy]-ethoxy}-ethoxy)-ethanol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 51.0h， 以89%的产率得到2-[2-[2-[2-[2-[2-[2-[2-[[2-Bromo-3-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane
  参考文献：
  名称：

  Synthesis of redox active large macrocyclic hosts and the recognition of secondary ammonium salts

  摘要：

  Interconvertible macrocyclic hosts containing thiol groups or a disulfide linkage in the binding cavity have been synthesized. The binding affinities of the reduced and oxidized forms toward benzylammoium derivatives are completely reverse. Formation of pseudorotaxane is suggested upon the host-guest complexation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01532-6

文献信息

• Synthesis of redox active large macrocyclic hosts and the recognition of secondary ammonium salts
  作者：Tatsuya Nabeshima、Daisuke Nishida、Toshiyuki Saiki

  DOI：10.1016/s0040-4020(02)01532-6

  日期：2003.1

  Interconvertible macrocyclic hosts containing thiol groups or a disulfide linkage in the binding cavity have been synthesized. The binding affinities of the reduced and oxidized forms toward benzylammoium derivatives are completely reverse. Formation of pseudorotaxane is suggested upon the host-guest complexation. (C) 2003 Elsevier Science Ltd. All rights reserved.