(1S,3R,5R,6S,8R,10R,11R,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-46-[2-(1H-imidazol-5-yl)ethoxy]-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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]nonatetracontane-36,38,40,42,44,48-hexol | 114260-27-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11R,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-46-[2-(1H-imidazol-5-yl)ethoxy]-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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]nonatetracontane-36,38,40,42,44,48-hexol
• CAS: 114260-27-4
• 化学式: C₆₁H₁₀₄N₂O₃₅
• 分子量: 1425.49
• InChiKey: IYKQMUAJHCTCDU-KURGQMGKSA-N

物化性质

• 密度：
  1.39±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.08
• 重原子数：
  98.0
• 可旋转键数：
  25.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  417.73
• 氢给体数：
  7.0
• 氢受体数：
  36.0

反应信息

• 作为产物：
  描述：

  4-(2-氯乙基)咪唑 、 二甲基环糊精 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以15%的产率得到(1S,3R,5R,6S,8R,10R,11R,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-46-[2-(1H-imidazol-5-yl)ethoxy]-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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]nonatetracontane-36,38,40,42,44,48-hexol
  参考文献：
  名称：

  Synthesis and Reactivity of Imidazole-Appended Dimethyl-β-cyclodextrin

  摘要：

  首次合成了带有咪唑基乙基的二甲基-β-环糊精(2)并对其催化活性进行了研究。 2引起对硝基苯乙酸酯的水解反应的广泛加速，而二甲基-β-环糊精则抑制水解。

  DOI：

  10.1246/cl.1987.1495

文献信息

• IKEDA, HIROSHI;KOJIN, RYOICI;YOON, CHUL-JOONG;IKEDA, TSUKASA;TODA, FUJIO, CHEM. LETT.,(1987) N 8, 1495-1498
  作者：IKEDA, HIROSHI、KOJIN, RYOICI、YOON, CHUL-JOONG、IKEDA, TSUKASA、TODA, FUJIO

  DOI：——

  日期：——