3-[(3,5-Dihexadecoxyphenyl)methoxy]-3-oxopropanoic acid | 375825-27-7

• 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: 3-[(3,5-Dihexadecoxyphenyl)methoxy]-3-oxopropanoic acid
• CAS: 375825-27-7
• 化学式: C₄₂H₇₄O₆
• 分子量: 675.046
• InChiKey: YMVUOWKLCSBSSX-UHFFFAOYSA-N

物化性质

• 沸点：
  736.8±55.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  48
• 可旋转键数：
  37
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl [3,5-bis(hydroxymethyl)phenoxy]acetate 、 3-[(3,5-Dihexadecoxyphenyl)methoxy]-3-oxopropanoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 以83%的产率得到malonic acid 3,5-bis-hexadecyloxy-benzyl ester 3-[(3,5-bis-hexadecyloxy-benzyloxycarbonyl)-acetoxymethyl]-5-tert-butoxycarbonylmethoxy-benzyl ester
  参考文献：
  名称：

  Amphiphilic Diblock Dendrimers:  Synthesis and Incorporation in Langmuir and Langmuir−Blodgett Films

  摘要：

  A new dendron with peripheral long alkyl chains and containing five C-60 units in the branching shell has been prepared and attached to a Frechet-type dendron functionalized with ethylene glycol chains. The peripheral substitution of the resulting globular dendrimer with hydrophobic chains on one hemisphere and hydrophilic groups on the other provides the perfect hydrophobic/hydrophilic balance allowing the formation of stable Langmuir films. Furthermore, a perfect reversibility has been observed in successive compression/decompression cycles. The diblock structure of the dendrimer has been also crucial for the efficient transfer of the Langmuir films in order to obtain well-ordered multilayered Langmuir-Blodgett films. This approach appears particularly interesting since functional groups not well adapted for the preparation of Langmuir and Langmuir-Blodgett films such as fullerenes can be attached into the branching shell of the dendritic structure and, thus, efficiently incorporated in thin ordered films.

  DOI：

  10.1021/ja010155m
• 作为产物：
  描述：

  溴代十六烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成 3-[(3,5-Dihexadecoxyphenyl)methoxy]-3-oxopropanoic acid
  参考文献：
  名称：

  Amphiphilic Diblock Dendrimers:  Synthesis and Incorporation in Langmuir and Langmuir−Blodgett Films

  摘要：

  A new dendron with peripheral long alkyl chains and containing five C-60 units in the branching shell has been prepared and attached to a Frechet-type dendron functionalized with ethylene glycol chains. The peripheral substitution of the resulting globular dendrimer with hydrophobic chains on one hemisphere and hydrophilic groups on the other provides the perfect hydrophobic/hydrophilic balance allowing the formation of stable Langmuir films. Furthermore, a perfect reversibility has been observed in successive compression/decompression cycles. The diblock structure of the dendrimer has been also crucial for the efficient transfer of the Langmuir films in order to obtain well-ordered multilayered Langmuir-Blodgett films. This approach appears particularly interesting since functional groups not well adapted for the preparation of Langmuir and Langmuir-Blodgett films such as fullerenes can be attached into the branching shell of the dendritic structure and, thus, efficiently incorporated in thin ordered films.

  DOI：

  10.1021/ja010155m