heptakis[2-O-methyl-6-deoxy-6-bromo]-β-cyclodextrin | 60788-65-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: heptakis[2-O-methyl-6-deoxy-6-bromo]-β-cyclodextrin
• CAS: 60788-65-0
• 化学式: C₄₉H₇₇Br₇O₂₈
• 分子量: 1673.46
• InChiKey: GTBBZJHHJJLLFW-SNBWOUTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.83
• 重原子数：
  84.0
• 可旋转键数：
  14.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  335.44
• 氢给体数：
  7.0
• 氢受体数：
  28.0

反应信息

• 作为反应物：
  描述：

  heptakis[2-O-methyl-6-deoxy-6-bromo]-β-cyclodextrin 、 potassium thioacetate 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Synthesis of a Novel Class of Cyclodextrin-Based Nanotubes

  摘要：

  The synthesis and characterization of a novel class of structurally well-defined nanotubes from beta-cyclodextrin are described. These new hosts were formed using disulfide linkages that substitute all the primary hydroxyl groups of a beta-cyclodextrin. A deep and rigid hydrophobic channel with a size of more than 1.5 nm is found in the molecules. Because of their unique geometry and the potential biodegradability of the disulfide bond, this class of molecules could find broad applications in biology and other areas of research.

  DOI：

  10.1021/ol201065u
• 作为产物：
  描述：

  heptakis(2-O-methyl-6-O-tert-butyldimethylsilyl)-β-cyclodextrin 在 溴 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以94%的产率得到heptakis[2-O-methyl-6-deoxy-6-bromo]-β-cyclodextrin
  参考文献：
  名称：

  Synthesis of a Novel Class of Cyclodextrin-Based Nanotubes

  摘要：

  The synthesis and characterization of a novel class of structurally well-defined nanotubes from beta-cyclodextrin are described. These new hosts were formed using disulfide linkages that substitute all the primary hydroxyl groups of a beta-cyclodextrin. A deep and rigid hydrophobic channel with a size of more than 1.5 nm is found in the molecules. Because of their unique geometry and the potential biodegradability of the disulfide bond, this class of molecules could find broad applications in biology and other areas of research.

  DOI：

  10.1021/ol201065u