| 1418181-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• CAS: 1418181-34-6
• 化学式: C₂₃H₂₄N₂O₉
• 分子量: 472.452
• InChiKey: QHUNINWPMOAXSL-UQOPEDAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  138.62
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydride 、 三乙胺 、 sodium iodide 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 48.75h， 生成 N,N'-bis(1-O-allyl-4,6-O-benzylidene-2-deoxy-3-O-n-undecyl-α-D-galactopyranos-2-yl)urea
  参考文献：
  名称：

  Versatile and self-assembling urea-linked neosaccharides from sugar aminoalcohols

  摘要：

  The increasing interest in urea compounds as self-assembling molecules, ion transporters and organo-catalysts prompted several efforts towards synthetic urea-linked glycomimetics. In this frame we studied in details a novel two steps dimerization reaction of sugar vicinal aminoalcohol building blocks, opening a synthetic path to a series of urea-linked neosaccharides. Glucosamine neodisaccharide possessing an oxazolidinone-urea-oxazolidinone system could be transformed into both cyclic and higher linear neosaccharides. Furthermore, a series of six urea-linked glucosamine and galactosamine neodisaccharides was tested for self-assembling properties by measuring NMR spectra at different temperatures and concentrations as well as by gelation of several organic solvents. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.005
• 作为产物：
  描述：

  (2S,4aR,6S,7R,8R,8aR)-6-(allyloxy)-7-amino-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-ol 、 对硝基苯基氯甲酸酯 在 碳酸氢钠 作用下， 以 水 、 乙腈 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Versatile and self-assembling urea-linked neosaccharides from sugar aminoalcohols

  摘要：

  The increasing interest in urea compounds as self-assembling molecules, ion transporters and organo-catalysts prompted several efforts towards synthetic urea-linked glycomimetics. In this frame we studied in details a novel two steps dimerization reaction of sugar vicinal aminoalcohol building blocks, opening a synthetic path to a series of urea-linked neosaccharides. Glucosamine neodisaccharide possessing an oxazolidinone-urea-oxazolidinone system could be transformed into both cyclic and higher linear neosaccharides. Furthermore, a series of six urea-linked glucosamine and galactosamine neodisaccharides was tested for self-assembling properties by measuring NMR spectra at different temperatures and concentrations as well as by gelation of several organic solvents. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.005