per(2,3-di-O-allyl)-α-cyclodextrin | 118646-80-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: per(2,3-di-O-allyl)-α-cyclodextrin
• 英文别名: 2A,2B,2C,2D,2E,2F,3A,3B,3C,3D,3E,3F-Dodeca-O-2-propen-1-yl-|A-Cyclodextrin；[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-10,15,20,25,30-pentakis(hydroxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(prop-2-enoxy)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methanol
• CAS: 118646-80-3
• 化学式: C₇₂H₁₀₈O₃₀
• 分子量: 1453.63
• InChiKey: QEOYKSIKWAXXHX-WLPBKHADSA-N

物化性质

• 沸点：
  1223.8±65.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.47
• 重原子数：
  102.0
• 可旋转键数：
  42.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  342.9
• 氢给体数：
  6.0
• 氢受体数：
  30.0

反应信息

• 作为产物：
  描述：

  per(2,3-di-O-allyl-6-O-triphenylmethyl)-α-cyclodextrin 在 tetrafluoroboric acid 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 2.0h， 以94%的产率得到per(2,3-di-O-allyl)-α-cyclodextrin
  参考文献：
  名称：

  First Per-6-O-tritylation of Cyclodextrins

  摘要：

  Because of the large dimension of the trityl group and the truncated conical geometry of cyclodextrin (CD) molecules, it is unclear if there is enough space at the narrower end of CDs to permit a per-6-O-tritylation. This work demonstrates that it is indeed possible to simultaneously install a trityl group at the O6-position of every glucopyranosyl unit in a CD. A novel per-6-substitution method has been developed for CD chemistry.

  DOI：

  10.1021/ol300358u