mono-6-O-ethoxycarbonyl β-cyclodextrin | 1428417-39-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-6-O-ethoxycarbonyl β-cyclodextrin
• CAS: 1428417-39-3
• 化学式: C₄₅H₇₄O₃₇
• 分子量: 1207.06
• InChiKey: RCZRSLCBIBRVMS-LZITWAFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.05
• 重原子数：
  82.0
• 可旋转键数：
  9.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  569.35
• 氢给体数：
  20.0
• 氢受体数：
  37.0

反应信息

• 作为产物：
  描述：

  β-环糊精 、 碳酸二乙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以65.8%的产率得到mono-6-O-ethoxycarbonyl β-cyclodextrin
  参考文献：
  名称：

  A novel synthesis of ethyl carbonate derivatives of β-cyclodextrin

  摘要：

  The carbonate ester derivatives of beta-cyclodextrin play a very important role in several fields, such as catalytic reaction and enantiomer separation. In this work, a novel synthesis process of the beta-cyclodextrin carbonate ester has been investigated through the reaction between beta-cyclodextrin and diethyl carbonate with anhydrous potassium carbonate as catalyst. The compounds were separated by semi-preparative chromatography and characterized by FT-IR, MS, H-1 NMR, and C-13 NMR spectroscopy. The position of the substituent was confirmed by C-13 NMR and this conclusion coincides with the analyses of MS and H-1 NMR in the main. The yield of the mono-6-O-ethoxycarbonyl beta-CD is 65.8%. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2013.01.022