3^A,6^A,-3^B,6^B-3^C,6^C-3^D,6^D-3^E,6^E-3^F,6^F-3^G,6^G-Heptaanhydro-β-cyclodextrin | 131105-40-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3^A,6^A,-3^B,6^B-3^C,6^C-3^D,6^D-3^E,6^E-3^F,6^F-3^G,6^G-Heptaanhydro-β-cyclodextrin
• 英文别名: heptakis(3,6-anhydro)-β-cyclodextrin；per-3,6-anhydro-β-cyclodextrin；heptakis(3,6-anhydro)-β-CyD；(1R,2R,4R,6R,9R,10R,12R,14R,17R,18R,20R,22R,25R,26R,28R,30R,33R,34R,36R,38R,41R,42R,44R,46R,49R,50R,52R,54R,57R,58R,59R,60R,61R,62R,63R)-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48,51,53,56-henicosaoxapentadecacyclo[50.4.1.14,9.112,17.120,25.128,33.136,41.144,49.02,54.06,10.014,18.022,26.030,34.038,42.046,50]trihexacontane-57,58,59,60,61,62,63-heptol
• CAS: 131105-40-3
• 化学式: C₄₂H₅₆O₂₈
• 分子量: 1008.89
• InChiKey: AALVMGYRMSBFQN-FOUAGVGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.1
• 重原子数：
  70
• 可旋转键数：
  0
• 环数：
  28.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  335
• 氢给体数：
  7
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  4-苯基偶氮苯甲酰氯 、 3^A,6^A,-3^B,6^B-3^C,6^C-3^D,6^D-3^E,6^E-3^F,6^F-3^G,6^G-Heptaanhydro-β-cyclodextrin 在 吡啶 作用下， 反应 0.25h， 以19.8%的产率得到heptakis(3,6,-anhydro)-β-CyD 2-O-phenylazobenzoate
  参考文献：
  名称：

  具有阳离子携带能力的环糊精衍生物：Heptakis(3,6-anhydro)-β-cyclodextrin 2-Op-Phenylazobenzoate

  摘要：

  阳离子络合主体七（3,6-脱水）-β-环糊精转化为单对苯基偶氮苯甲酰基衍生物，在CH2Cl2-H2O体系中表现出碱金属携带能力。

  DOI：

  10.1246/cl.1996.799
• 作为产物：
  描述：

  heptakis(6-deoxy-6-iodo)cyclomaltoheptaose 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以95%的产率得到3^A,6^A,-3^B,6^B-3^C,6^C-3^D,6^D-3^E,6^E-3^F,6^F-3^G,6^G-Heptaanhydro-β-cyclodextrin
  参考文献：
  名称：

  Gadelle, Andree; Defaye, Jacques, Angewandte Chemie, 1991, vol. 103, # 1, p. 94 - 95

  摘要：

  DOI：

文献信息

• Preparation of Heptakis(6-O-(p-tosyl))-.BETA.-cyclodextrin and Heptakis(6-O-(p-tosyl))-2-O-(p-tosyl)-.BETA.-cyclodextrin and Their Conversion to Heptakis(3,6-anhydro)-.BETA.-cyclodextrin.
  作者：Hatsuo YAMAMURA、Kahee FUJITA

  DOI：10.1248/cpb.39.2505

  日期：——

  Heptakis(6-O-(p-tosyl))-β-cyclodextrin and heptakis(6-O-(p-tosyl))-2-O-(p-tosyl)-β-cyclodextrin were prepared by the reaction of β-cyclodextrin with p-tosyl chloride in pyridine. They were converted to heptakis(3, 6-anhydro)-β-cyclodextrin, constituted from alternative (1C4) glucose units.

  通过β-环糊精与对-对甲苯磺酸氯化物在吡啶中的反应，制备了七(6-O-(对-对甲苯磺酸))-2-O-(对-对甲苯磺酸)-β-环糊精和七(6-O-(对-对甲苯磺酸))-2-O-(对-对甲苯磺酸)-β-环糊精。它们被转化成由替代 (1C4) 葡萄糖单元构成的七(3, 6-anhydro)-β- 环糊精。
• Gadelle, Andree; Defaye, Jacques, Angewandte Chemie, 1991, vol. 103, # 1, p. 94 - 95
  作者：Gadelle, Andree、Defaye, Jacques

  DOI：——

  日期：——
• Per-3,6-anhydro-.alpha.-cyclodextrin and per-3,6-anhydro-.beta.-cyclodextrin
  作者：Peter R. Ashton、Paul Ellwood、Ian Staton、J. Fraser Stoddart

  DOI：10.1021/jo00026a017

  日期：1991.12

  The synthesis of the per-3,6-anhydro derivatives of alpha- and beta-cyclodextrins (CDs) is described starting from the corresponding per-6-tosylates. These could only be obtained as pure compounds following repeated HPLC under reversed-phase conditions of the crude products isolated after tosylation of alpha-CD and beta-CD in pyridine with p-toluenesulfonyl chloride. Treatment of the per-6-O-tosyl-alpha- and beta-CDs with warm aqueous sodium hydroxide solutions (50-60-degrees-C) afforded the per-3,6-anhydro-alpha- and beta-CDs in good yields. The development of an alternative and successful strategy for the synthesis of per-3,6-anhydro-alpha-CD from the known per-2,3-di-O-benzoyl-6-O-tosyl-alpha-CD relies upon the use of triethylamine as base in refluxing aqueous methanol. The per-3,6-anhydro-CDs have been fully characterized by FABMS and NMR spectroscopy. Their specific optical rotations, which are solvent dependent, confirm the chiral nature of these molecules. The anhydrides are soluble in such widely different solvents as dichloromethane and water. There is evidence from FABMS that per-3,6-anhydro-alpha-CD forms a complex with the triethylammonium cation while per-3,6-anhydro-beta-CD solubilizes nitrobenzene in deuterium oxide solutions.
• Ashton, Peter R.; Ellwood, Paul; Staton, Ian, Angewandte Chemie, 1991, vol. 103, # 1, p. 96 - 97
  作者：Ashton, Peter R.、Ellwood, Paul、Staton, Ian、Stoddart, J. Fraser

  DOI：——

  日期：——
• ASHTON, PETER R.;ELLWOOD, PAUL;STATON, IAN;STODDART, J. FRASER, ANGEW. CHEM., 103,(1991) N, C. 96-97
  作者：ASHTON, PETER R.、ELLWOOD, PAUL、STATON, IAN、STODDART, J. FRASER

  DOI：——

  日期：——