2-(Diethoxymethyl)-2-<<(2-methoxyethoxy)methoxy>methyl>-1,3-propanediol | 156666-17-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(Diethoxymethyl)-2-<<(2-methoxyethoxy)methoxy>methyl>-1,3-propanediol
• 英文别名: 2-(Diethoxymethyl)-2-(2-methoxyethoxymethoxymethyl)propane-1,3-diol
• CAS: 156666-17-0
• 化学式: C₁₃H₂₈O₇
• 分子量: 296.361
• InChiKey: GSRMKHULLPNJJK-UHFFFAOYSA-N

物化性质

• 沸点：
  401.8±45.0 °C(predicted)
• 密度：
  1.096±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  20
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  86.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(Diethoxymethyl)-2-<<(2-methoxyethoxy)methoxy>methyl>-1,3-propanediol 在 咪唑 、 sodium tetrahydroborate 、 sodium hydride 、 对甲苯磺酸 、 zinc dibromide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 53.25h， 生成 rac-3-(Benzyloxy)-2-<<(tert-butyldimethylsilyl)oxy>methyl>-2-<<(2-methoxyethoxy)methoxy>methyl>-1-propanol
  参考文献：
  名称：

  Synthesis and Characterization of a Chiral Dendrimer Derived from Pentaerythritol

  摘要：

  The synthesis and characterization of chiral dendrimer 1 in its racemic form is reported. The chirality of this macromolecule, with a molecular weight of 2831, is based on a pentaerythritol core, acting as a stereocenter with four dendritic substituents of different generation. The synthesis is making use of a newly developed, general route to a multisubstituted pentaerythritol derivative. Resolution of 1 is hampered by conformational flexibility. The latter, however, allows detailed H-1-NMR characterization indicating the stratified structure of the dendrimer. Considerable resolution of the 1H-NMR signals of the inner protons in C6D6 and C6D5N suggests that 1 adopts an overall chiral shape in solution.

  DOI：

  10.1021/jo00094a044
• 作为产物：
  描述：

  diethoxymethylmalonic acid diethyl ester 在 lithium aluminium tetrahydride 、 potassium carbonate 、 二异丙胺 作用下， 以 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 2-(Diethoxymethyl)-2-<<(2-methoxyethoxy)methoxy>methyl>-1,3-propanediol
  参考文献：
  名称：

  Synthesis and Characterization of a Chiral Dendrimer Derived from Pentaerythritol

  摘要：

  The synthesis and characterization of chiral dendrimer 1 in its racemic form is reported. The chirality of this macromolecule, with a molecular weight of 2831, is based on a pentaerythritol core, acting as a stereocenter with four dendritic substituents of different generation. The synthesis is making use of a newly developed, general route to a multisubstituted pentaerythritol derivative. Resolution of 1 is hampered by conformational flexibility. The latter, however, allows detailed H-1-NMR characterization indicating the stratified structure of the dendrimer. Considerable resolution of the 1H-NMR signals of the inner protons in C6D6 and C6D5N suggests that 1 adopts an overall chiral shape in solution.

  DOI：

  10.1021/jo00094a044

文献信息

• Synthesis and Characterization of a Chiral Dendrimer Derived from Pentaerythritol
  作者：John A. Kremers、E. W. Meijer

  DOI：10.1021/jo00094a044

  日期：1994.7

  The synthesis and characterization of chiral dendrimer 1 in its racemic form is reported. The chirality of this macromolecule, with a molecular weight of 2831, is based on a pentaerythritol core, acting as a stereocenter with four dendritic substituents of different generation. The synthesis is making use of a newly developed, general route to a multisubstituted pentaerythritol derivative. Resolution of 1 is hampered by conformational flexibility. The latter, however, allows detailed H-1-NMR characterization indicating the stratified structure of the dendrimer. Considerable resolution of the 1H-NMR signals of the inner protons in C6D6 and C6D5N suggests that 1 adopts an overall chiral shape in solution.