3-(oxrian-2-yloxy)propane-1,2-diol | 1416557-67-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 3-(oxrian-2-yloxy)propane-1,2-diol
• 英文别名: 3-(Oxiran-2-yloxy)propane-1,2-diol
• CAS: 1416557-67-9
• 化学式: C₅H₁₀O₄
• 分子量: 134.132
• InChiKey: RGNSBBAPWFLNJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环氧乙烷 、 甘油 在 potassium tert-butylate 作用下， 130.0 ℃ 、500.01 kPa 条件下， 生成 3-(oxrian-2-yloxy)propane-1,2-diol
  参考文献：
  名称：

  CN116725903

  摘要：

  公开号：

文献信息

• Ionic-liquid-catalyzed decarboxylation of glycerol carbonate to glycidol
  作者：Ji Sik Choi、Fidelis Stefanus Hubertson Simanjuntak、Ji Young Oh、Keun Im Lee、Sang Deuk Lee、Minserk Cheong、Hoon Sik Kim、Hyunjoo Lee

  DOI：10.1016/j.jcat.2012.10.015

  日期：2013.1

  Decarboxylation of glycerol carbonate (GLC) to produce 2,3-epoxy-1-propanol (glycidol) was conducted using various kinds of ionic liquids (ILs) as catalysts. ILs bearing an anion with medium hydrogen-bond basicity such as NO3- and I- exhibited the higher glycidol yields than those having an anion with low or strong hydrogen-bond. FT-IR spectroscopic analysis shows that both GLC and glycidol interact with anions of ILs through their hydroxyl groups. It was possible to improve the yield of glycidol when a zinc salt with a medium Lewis acidity was co-present along with an IL. The yield of glycidol was greatly increased up to 98% when the decarboxylation was conducted in the presence of a high-boiling aprotic solvent. Computational calculations on the mechanism using 1-butyl-3-methylimidazolium nitrate as a catalyst revealed that the first step is the NO3--assisted ring-opening of GLC followed by the ring closure, resulting in the formation of a 3-membered ring intermediate species. (c) 2012 Elsevier Inc. All rights reserved.
• CN116725903
  申请人：——

  公开号：——

  公开（公告）日：——