1-(4-methoxyphenyl)-2,5,8,11,14,17-hexaoxanonadecan-19-yl 4-methylbenzenesulfonate | 669556-27-8

• 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: 1-(4-methoxyphenyl)-2,5,8,11,14,17-hexaoxanonadecan-19-yl 4-methylbenzenesulfonate
• CAS: 669556-27-8
• 化学式: C₂₇H₄₀O₁₀S
• 分子量: 556.675
• InChiKey: XAPWOIBXKUAKRG-UHFFFAOYSA-N

物化性质

• 沸点：
  641.8±55.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  38.0
• 可旋转键数：
  23.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1-(4-methoxyphenyl)-2,5,8,11,14,17-hexaoxanonadecan-19-yl 4-methylbenzenesulfonate 在 ammonium cerium(IV) nitrate 、 sodium hydride 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 4.0h， 生成 九乙二醇一苯甲醚
  参考文献：
  名称：

  Multigram Synthesis of Well-Defined Extended Bifunctional Polyethylene Glycol (PEG) Chains

  摘要：

  A series of novel, well-defined, unsymmetrical poly(ethylene glycol) chains of the type X(OCH2CH2)(n)Y (where X = protecting group; Y = nucleofuge or a different protecting group; n = 3, 6, 9, 12, 15, 18, and 24) were prepared in high yields by applying orthogonal protecting groups. The purity of the compounds was fully verified by elemental and high-resolution mass spectrometry analyses.

  DOI：

  10.1021/jo035042v
• 作为产物：
  描述：

  六甘醇 在 吡啶 、 potassium iodide 、 silver(l) oxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 1-(4-methoxyphenyl)-2,5,8,11,14,17-hexaoxanonadecan-19-yl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Multigram Synthesis of Well-Defined Extended Bifunctional Polyethylene Glycol (PEG) Chains

  摘要：

  A series of novel, well-defined, unsymmetrical poly(ethylene glycol) chains of the type X(OCH2CH2)(n)Y (where X = protecting group; Y = nucleofuge or a different protecting group; n = 3, 6, 9, 12, 15, 18, and 24) were prepared in high yields by applying orthogonal protecting groups. The purity of the compounds was fully verified by elemental and high-resolution mass spectrometry analyses.

  DOI：

  10.1021/jo035042v

文献信息

• Preparation of macrocyclon analogues: calix[8]arenes with extended polyethylene glycol chains
  作者：François A. Loiseau、Alison M. Hill、King Kuok (Mimi) Hii

  DOI：10.1016/j.tet.2007.07.057

  日期：2007.10

  A one-pot methodology has been developed for the preparation of macrocyclon mimics, i.e., calix[8]arenes containing hydrophobic alkyl substituents on the upper rim and hydrophilic polyethylene glycol chains on the lower rim. Compounds containing PEG chains of up to 24 repeating ethylene oxide (EO) units can be prepared. With increasing molecular weight, these amphiphilic compounds can be classified as macromolecules, and can be difficult to characterise as single molecules. The limitations of conventional analytical techniques are discussed. (c) 2007 Elsevier Ltd. All rights reserved.