6-[[19,28,54,63-Tetratert-butyl-41-(6-hydroxyhexoxy)-6-undecacyclo[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]tetraoctaconta-1(71),4(84),5,7,11,13,17,19,21(81),26(80),27,29,33,35,39,41,43(77),46(76),47,49(75),52,54,56(74),61(73),62,64,68(72),69,78,82-triacontaen-2,9,15,22,24,31,37,44,50,57,59,66-dodecaynyl]oxy]hexan-1-ol | 374903-51-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-[[19,28,54,63-Tetratert-butyl-41-(6-hydroxyhexoxy)-6-undecacyclo[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]tetraoctaconta-1(71),4(84),5,7,11,13,17,19,21(81),26(80),27,29,33,35,39,41,43(77),46(76),47,49(75),52,54,56(74),61(73),62,64,68(72),69,78,82-triacontaen-2,9,15,22,24,31,37,44,50,57,59,66-dodecaynyl]oxy]hexan-1-ol
• 英文别名: 6-[[19,28,54,63-tetratert-butyl-41-(6-hydroxyhexoxy)-6-undecacyclo[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]tetraoctaconta-1(71),4(84),5,7,11,13,17,19,21(81),26(80),27,29,33,35,39,41,43(77),46(76),47,49(75),52,54,56(74),61(73),62,64,68(72),69,78,82-triacontaen-2,9,15,22,24,31,37,44,50,57,59,66-dodecaynyl]oxy]hexan-1-ol
• CAS: 374903-51-2
• 化学式: C₁₁₂H₉₆O₄
• 分子量: 1505.99
• InChiKey: VLZIBZSJWPZGSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.1
• 重原子数：
  116
• 可旋转键数：
  18
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-溴-2-甲基丙酰溴 、 6-[[19,28,54,63-Tetratert-butyl-41-(6-hydroxyhexoxy)-6-undecacyclo[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]tetraoctaconta-1(71),4(84),5,7,11,13,17,19,21(81),26(80),27,29,33,35,39,41,43(77),46(76),47,49(75),52,54,56(74),61(73),62,64,68(72),69,78,82-triacontaen-2,9,15,22,24,31,37,44,50,57,59,66-dodecaynyl]oxy]hexan-1-ol 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以79%的产率得到
  参考文献：
  名称：

  Synthesis of conjugates combining macromolecular brushes and rigid macrocycles

  摘要：

  A synthesis route towards conjugates comprised of two macromolecular brushes and a central shape persistent macrocycle utilizing atom transfer radical polymerization techniques is presented. The extended brush conformation could be visualized by atomic force microscopy on mica substrates, which allows for the observation of the position of the macrocycle within individual brush-cycle-brush conjugates. As a result of the architecture and the properties of the combined structure elements a functional macromolecule is obtained that might regulate accessibility to a central shape persistent macrocycle via reversible brush-coil transitions. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2015.02.059
• 作为产物：
  描述：

  在 氢氧化钾 作用下， 以 四氢呋喃 为溶剂， 以87%的产率得到6-[[19,28,54,63-Tetratert-butyl-41-(6-hydroxyhexoxy)-6-undecacyclo[66.2.2.211,14.233,36.246,49.14,8.117,21.126,30.139,43.152,56.161,65]tetraoctaconta-1(71),4(84),5,7,11,13,17,19,21(81),26(80),27,29,33,35,39,41,43(77),46(76),47,49(75),52,54,56(74),61(73),62,64,68(72),69,78,82-triacontaen-2,9,15,22,24,31,37,44,50,57,59,66-dodecaynyl]oxy]hexan-1-ol
  参考文献：
  名称：

  线圈-环-线圈嵌段共聚物的合成和固态组织。

  摘要：

  通过适当的苯基乙炔基低聚物的氧化偶联，制备了基于含有两个环外羟基的苯基乙炔基-丁二烯主链的形状持久性大环。碳二亚胺定向偶联与独立合成的聚苯乙烯羧酸低聚物形成了ABA环-环-嵌段共聚物，其中中心大环为刚性，聚苯乙烯低聚物为柔性元素。根据线圈块的大小，这些结构在环己烷中聚集成超分子空心圆柱电刷，其中刚性芯被柔性基体包围。但是，在固态状态下，无法确定其中基于聚集的大环的孤立通道嵌入聚苯乙烯基质中的形态。

  DOI：

  10.1002/chem.200304796

文献信息

• Synthesis of conjugates combining macromolecular brushes and rigid macrocycles
  作者：Hans G. Börner、Sigurd Höger、Silvia Rosselli、Sergei S. Sheiko

  DOI：10.1016/j.polymer.2015.02.059

  日期：2015.8

  A synthesis route towards conjugates comprised of two macromolecular brushes and a central shape persistent macrocycle utilizing atom transfer radical polymerization techniques is presented. The extended brush conformation could be visualized by atomic force microscopy on mica substrates, which allows for the observation of the position of the macrocycle within individual brush-cycle-brush conjugates. As a result of the architecture and the properties of the combined structure elements a functional macromolecule is obtained that might regulate accessibility to a central shape persistent macrocycle via reversible brush-coil transitions. (C) 2015 Elsevier Ltd. All rights reserved.
• Synthesis and Solid-State Organization of Coil–Ring–Coil Block Copolymers
  作者：Silvia Rosselli、Anne-Désirée Ramminger、Thomas Wagner、Günter Lieser、Sigurd Höger

  DOI：10.1002/chem.200304796

  日期：2003.8.4

  oligomers. Carbodiimide-directed coupling with independently synthesized polystyrene carboxylic acid oligomers led to ABA coil-ring-coil block copolymers in which the central macrocycle serves as rigid and the polystyrene oligomers as flexible elements. Depending on the size of the coil blocks, these structures aggregate in cyclohexane into supramolecular hollow cylindrical brushes in which the rigid core

  通过适当的苯基乙炔基低聚物的氧化偶联，制备了基于含有两个环外羟基的苯基乙炔基-丁二烯主链的形状持久性大环。碳二亚胺定向偶联与独立合成的聚苯乙烯羧酸低聚物形成了ABA环-环-嵌段共聚物，其中中心大环为刚性，聚苯乙烯低聚物为柔性元素。根据线圈块的大小，这些结构在环己烷中聚集成超分子空心圆柱电刷，其中刚性芯被柔性基体包围。但是，在固态状态下，无法确定其中基于聚集的大环的孤立通道嵌入聚苯乙烯基质中的形态。