dipentaerythritol hexakis(bromoacetate) | 252644-03-4

• 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: dipentaerythritol hexakis(bromoacetate)
• 英文别名: [3-(2-Bromoacetyl)oxy-2-[[3-(2-bromoacetyl)oxy-2,2-bis[(2-bromoacetyl)oxymethyl]propoxy]methyl]-2-[(2-bromoacetyl)oxymethyl]propyl] 2-bromoacetate
• CAS: 252644-03-4
• 化学式: C₂₂H₂₈Br₆O₁₃
• 分子量: 979.881
• InChiKey: SIJUTRPDHHULPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  41
• 可旋转键数：
  28
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  十二烷基二甲基叔胺 、 dipentaerythritol hexakis(bromoacetate) 以 丙酮 为溶剂， 反应 3.0h， 以62%的产率得到dipentaerythritol hexakis(dimethyloctylammonioacetate), hexabromide
  参考文献：
  名称：

  Synthesis and Properties of Multiarmed Geminis

  摘要：

  Three families of multiarmed and multicationic gemini surfactants, having pentaerythritol, dipentaerythritol, or adamantane cores, were synthesized and examined for their colloidal properties in water. Geminis with four or six six-carbon chains are highly water-soluble and do not self-assemble. But surface tension and conductivity measurements show that the geminis with four or six eight-carbon chains form micelles in the 3-6 mM range (compared to 0.5 M for a corresponding surfactant with a single chain). According to dynamic light scattering, these micelles are small (<30 Angstrom diameter); no evidence of dendritic growth below 25 mM is evident. Geminis with four or six 12-carbon chains are too water-insoluble to examine for micelle formation. It is concluded the outward projection of the hydrocarbon chains in water greatly enhances the propensity of the surfactants to self-assemble. Micellar growth is seemingly restricted by chain pairing, chain looping, and associative ring formation. Since;the aggregates have, despite these effects, greater residual water-hydrocarbon contact than found in typical micelles, water solubility of surfactants having longer chains is impaired.

  DOI：

  10.1021/jo9912350
• 作为产物：
  描述：

  双季戊四醇 、 溴乙酰溴 在 吡啶 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以65%的产率得到dipentaerythritol hexakis(bromoacetate)
  参考文献：
  名称：

  Synthesis and Properties of Multiarmed Geminis

  摘要：

  Three families of multiarmed and multicationic gemini surfactants, having pentaerythritol, dipentaerythritol, or adamantane cores, were synthesized and examined for their colloidal properties in water. Geminis with four or six six-carbon chains are highly water-soluble and do not self-assemble. But surface tension and conductivity measurements show that the geminis with four or six eight-carbon chains form micelles in the 3-6 mM range (compared to 0.5 M for a corresponding surfactant with a single chain). According to dynamic light scattering, these micelles are small (<30 Angstrom diameter); no evidence of dendritic growth below 25 mM is evident. Geminis with four or six 12-carbon chains are too water-insoluble to examine for micelle formation. It is concluded the outward projection of the hydrocarbon chains in water greatly enhances the propensity of the surfactants to self-assemble. Micellar growth is seemingly restricted by chain pairing, chain looping, and associative ring formation. Since;the aggregates have, despite these effects, greater residual water-hydrocarbon contact than found in typical micelles, water solubility of surfactants having longer chains is impaired.

  DOI：

  10.1021/jo9912350