rac-2-<(Benzyloxy)methyl>-2-<<<3,5-bis(benzyloxy)benzyl>oxy>methyl>-3-<<3,5-bis<<3,5-bis(benzyloxy)benzyl>oxy>benzyl>oxy>-1-propanol | 156666-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: rac-2-<(Benzyloxy)methyl>-2-<<<3,5-bis(benzyloxy)benzyl>oxy>methyl>-3-<<3,5-bis<<3,5-bis(benzyloxy)benzyl>oxy>benzyl>oxy>-1-propanol
• 英文别名: 2-[[3,5-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-[[3,5-bis(phenylmethoxy)phenyl]methoxymethyl]-3-phenylmethoxypropan-1-ol
• CAS: 156666-26-1
• 化学式: C₈₂H₇₈O₁₂
• 分子量: 1255.51
• InChiKey: QMOIBRAUJNALBS-UHFFFAOYSA-N

物化性质

• 密度：
  1.210±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  94
• 可旋转键数：
  37
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  3,5-bis[3,5-bis[3,5-bis(benzyloxy)benzyloxy]benzyloxy]benzyl bromide 、 rac-2-<(Benzyloxy)methyl>-2-<<<3,5-bis(benzyloxy)benzyl>oxy>methyl>-3-<<3,5-bis<<3,5-bis(benzyloxy)benzyl>oxy>benzyl>oxy>-1-propanol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到rac-2-<(Benzyloxy)methyl>-2-<<<3,5-bis(benzyloxy)benzyl>oxy>methyl>-3-<<3,5-bis<<3,5-bis(benzyloxy)benzyl>oxy>benzyl>oxy>-1-<<3,5-bis<<3,5-bis<<3,5-bis(benzyloxy)benzyl>oxy>benzyl>oxy>benzyl>oxy>propane
  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：

  Diethyl (diethoxymethyl)(hydroxymethyl)malonate 在 咪唑 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 B-氯-1,2-苯二酚硼烷 、 四丁基氟化铵 、 sodium hydride 、 对甲苯磺酸 、 二异丙胺 、 zinc dibromide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 150.75h， 生成 rac-2-<(Benzyloxy)methyl>-2-<<<3,5-bis(benzyloxy)benzyl>oxy>methyl>-3-<<3,5-bis<<3,5-bis(benzyloxy)benzyl>oxy>benzyl>oxy>-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

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.