[3',5'-Bis-(3-tert-butoxycarbonylmethoxy-5-decyloxy-benzyloxy)-6-decyloxy-4-hydroxymethyl-biphenyl-2-yloxy]-acetic acid tert-butyl ester | 820958-40-5

• 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',5'-Bis-(3-tert-butoxycarbonylmethoxy-5-decyloxy-benzyloxy)-6-decyloxy-4-hydroxymethyl-biphenyl-2-yloxy]-acetic acid tert-butyl ester
• CAS: 820958-40-5
• 化学式: C₇₅H₁₁₄O₁₅
• 分子量: 1255.72
• InChiKey: BWUPFIAXNNQYAR-UHFFFAOYSA-N

物化性质

• 沸点：
  1056.7±65.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  18.72
• 重原子数：
  90.0
• 可旋转键数：
  47.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  172.97
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  [3',5'-Bis-(3-tert-butoxycarbonylmethoxy-5-decyloxy-benzyloxy)-6-decyloxy-4-hydroxymethyl-biphenyl-2-yloxy]-acetic acid tert-butyl ester 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 0.03h， 以95%的产率得到[4-Bromomethyl-3',5'-bis-(3-tert-butoxycarbonylmethoxy-5-decyloxy-benzyloxy)-6-decyloxy-biphenyl-2-yloxy]-acetic acid tert-butyl ester
  参考文献：
  名称：

  Dendrimers with Both Polar and Apolar Nanocontainer Characteristics

  摘要：

  Amphiphilic dendrimers with a custom-designed biaryl repeat unit have been synthesized. These dendrimers afford hydrophobic nanocontainers in polar solvents and hydrophilic nanocontainers in apolar solvents. These container properties were investigated using dye incorporation studies. The aggregation states of these dendrimers are also reported using DLS studies.

  DOI：

  10.1021/ja0449628
• 作为产物：
  描述：

  (2-Bromo-3-decyloxy-5-hydroxymethyl-phenoxy)-acetic acid tert-butyl ester 在 正丁基锂 、 18-冠醚-6 、 四丁基氟化铵 、 tetrabutylammonium borohydride 、 potassium carbonate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 128.5h， 生成 [3',5'-Bis-(3-tert-butoxycarbonylmethoxy-5-decyloxy-benzyloxy)-6-decyloxy-4-hydroxymethyl-biphenyl-2-yloxy]-acetic acid tert-butyl ester
  参考文献：
  名称：

  Dendrimers with Both Polar and Apolar Nanocontainer Characteristics

  摘要：

  Amphiphilic dendrimers with a custom-designed biaryl repeat unit have been synthesized. These dendrimers afford hydrophobic nanocontainers in polar solvents and hydrophilic nanocontainers in apolar solvents. These container properties were investigated using dye incorporation studies. The aggregation states of these dendrimers are also reported using DLS studies.

  DOI：

  10.1021/ja0449628