1,4-Dihexadecyloxy-2-methylbenzol | 157202-51-2

• 英文名称: 1,4-Dihexadecyloxy-2-methylbenzol
• CAS: 157202-51-2
• 化学式: C₃₉H₇₂O₂
• 分子量: 572.999
• InChiKey: UVXPFBOHDFOWLM-UHFFFAOYSA-N

物化性质

• 沸点：
  633.5±35.0 °C(predicted)
• 密度：
  0.882±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.72
• 重原子数：
  41.0
• 可旋转键数：
  32.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,4-Dihexadecyloxy-2-methylbenzol 在 四氯化锡 作用下， 反应 2.5h， 生成 (E)-2,5-Dihexadecyloxy-4-methyl-N-phenylbenzaldimin
  参考文献：
  名称：

  2,5-Dialkoxysubstituierte Oligo- und Poly(1,4-phenylenethenylen)e

  摘要：

  O-Alkylation and regioselective Rieche formylation of 2-methylhydroquinone (1) yields the 2,5-dialkoxy-4-methylbenzaldehydes 4a-j. The corresponding azomethines 5a-j enter in a strongly alkaline medium a self-condensation reaction leading to the title compounds 6/7a-j. These conjugated oligomers and polymers possess highly regular structures with exclusively (E)-configurated double bonds. GPC, IR, H-1-, C-13-NMR and MS-FD measurements were used for their characterization. Somewhat different results were obtained for the similarly prepared Schiff base 51 which contains chlorine substituents in the side chains. Cleavage of hydrogen chloride leads not only to unsaturated alkoxy groups; additionally, cyclization reactions (51 --> 81) are observed.

  DOI：

  10.1002/prac.19943360311
• 作为产物：
  描述：

  甲基氢醌 、 溴代十六烷 在 氢氧化钾 、 甲基三辛基氯化铵 作用下， 反应 24.0h， 以69%的产率得到1,4-Dihexadecyloxy-2-methylbenzol
  参考文献：
  名称：

  2,5-Dialkoxysubstituierte Oligo- und Poly(1,4-phenylenethenylen)e

  摘要：

  O-Alkylation and regioselective Rieche formylation of 2-methylhydroquinone (1) yields the 2,5-dialkoxy-4-methylbenzaldehydes 4a-j. The corresponding azomethines 5a-j enter in a strongly alkaline medium a self-condensation reaction leading to the title compounds 6/7a-j. These conjugated oligomers and polymers possess highly regular structures with exclusively (E)-configurated double bonds. GPC, IR, H-1-, C-13-NMR and MS-FD measurements were used for their characterization. Somewhat different results were obtained for the similarly prepared Schiff base 51 which contains chlorine substituents in the side chains. Cleavage of hydrogen chloride leads not only to unsaturated alkoxy groups; additionally, cyclization reactions (51 --> 81) are observed.

  DOI：

  10.1002/prac.19943360311