3-[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)acetyl]-4-hydroxyfuran-2(5H)-one | 1514896-29-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)acetyl]-4-hydroxyfuran-2(5H)-one
• CAS: 1514896-29-7
• 化学式: C₁₈H₂₉NO₉
• 分子量: 403.43
• InChiKey: KLQAVTZYIUYRGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.68
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  112.99
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  氮杂-18-冠醚-6 、 3-(2-bromoacetyl)-4-hydroxyfuran-2(5H)-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以96%的产率得到3-[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)acetyl]-4-hydroxyfuran-2(5H)-one
  参考文献：
  名称：

  Synthesis and evaluation of 3-acyltetronic acid-containing metal complexing agents

  摘要：

  Potential metal chelators containing one or several acyltetronic acid moieties were prepared from cyclic or acyclic amines and polyamines, and from bis(phenols) by reaction with 1-4 equiv of 3-bromoacetyltetronic acid in the presence of potassium carbonate. The affinity constants of the chelating agents for toxic metallic cations Cd2+, Cs+, and Pb2+ and for dimethylarsinic acid were measured, at pH 7.5 and 9.3. Compound 4, an acyclic triamine containing four acyltetronic moieties, was found to complex efficiently all the tested species. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.10.087