acetyl-β-cyclodextrin | 131991-46-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: acetyl-β-cyclodextrin
• 英文别名: beta-Cyclodextrin, 6A-acetate；[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl acetate
• CAS: 131991-46-3
• 化学式: C₄₄H₇₂O₃₆
• 分子量: 1177.03
• InChiKey: HECSPEHQYGRENG-LZITWAFGSA-N

物化性质

• 沸点：
  1513.7±60.0 °C(Predicted)
• 密度：
  1.595±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -14.4
• 重原子数：
  80
• 可旋转键数：
  9
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  560
• 氢给体数：
  20
• 氢受体数：
  36

反应信息

• 作为产物：
  描述：

  4-硝基苯基乙酸酯 、 β-环糊精 生成 acetyl-β-cyclodextrin
  参考文献：
  名称：

  Preassociating .alpha.-nucleophiles

  摘要：

  DOI：

  10.1021/ja00030a062

文献信息

• Preassociating .alpha.-Nucleophiles Based on .beta.-Cyclodextrin. Their Synthesis and Reactivity
  作者：Kristy A. Martin、Mark A. Mortellaro、Robert W. Sweger、Lewis E. Fikes、David T. Winn、Scott Clary、Morgan P. Johnson、Anthony W. Czarnik

  DOI：10.1021/ja00147a005

  日期：1995.10

  Methods are reported for the attachment of alpha-nucleophiles to the primary and secondary sides of the cyclodextrin cavity. Six new materials have been prepared in which beta CD has been modified by hydrazine, hydroxylamine, oxime, and hydroperoxide functionalities. Transacylating studies with p-NPA have demonstrated that the primary-side hydroxylamine shows the highest reactivity with a 1900-fold increase in rate over beta CD at pH 6.5. Other alpha-nucleophiles show less remarkable rate increases in this system but, in some cases, demonstrate hydrogen-bonding to the cyclodextrin rim and inhibition kinetics.
• US4426292A
  申请人：——

  公开号：US4426292A

  公开（公告）日：1984-01-17