1,11-bis(4-methyl-2,6-dihydroxymethylphenoxy)-3,6,9-trioxaundecane | 473743-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,11-bis(4-methyl-2,6-dihydroxymethylphenoxy)-3,6,9-trioxaundecane
• 英文别名: [2-[2-[2-[2-[2-[2,6-Bis(hydroxymethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol
• CAS: 473743-42-9
• 化学式: C₂₆H₃₈O₉
• 分子量: 494.582
• InChiKey: KHWQVKGMMFLQTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  35
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,11-bis(4-methyl-2,6-dihydroxymethylphenoxy)-3,6,9-trioxaundecane 在 三溴化磷 作用下， 以 1,4-二氧六环 为溶剂， 以75%的产率得到1,11-bis(4-methyl-2,6-dibromomethylphenoxy)-3,6,9-trioxaundecane
  参考文献：
  名称：

  Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane

  摘要：

  A crownophane consisting of a dithia[3.3]metacyclophane moiety was synthesized by employing a high dilution method. The crystal structure and complexation behavior of this crownophane was studied. A hydrogen-bonded linear supramolecular assembly using anion-Na+-crownophane-solvent as a synthon was observed in the solid state. This supramolecular assembly was also stabilized via an intermolecular S...H-C interaction.

  DOI：

  10.1021/ol026374+
• 作为产物：
  描述：

  2-羟基-5-甲基间苯二甲醇 、 1-溴-2-(2-(2-(2-溴乙氧基)乙氧基)乙氧基)乙烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以65%的产率得到1,11-bis(4-methyl-2,6-dihydroxymethylphenoxy)-3,6,9-trioxaundecane
  参考文献：
  名称：

  Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane

  摘要：

  A crownophane consisting of a dithia[3.3]metacyclophane moiety was synthesized by employing a high dilution method. The crystal structure and complexation behavior of this crownophane was studied. A hydrogen-bonded linear supramolecular assembly using anion-Na+-crownophane-solvent as a synthon was observed in the solid state. This supramolecular assembly was also stabilized via an intermolecular S...H-C interaction.

  DOI：

  10.1021/ol026374+