1-(4-hydroxy-3-methoxybenzyl)-1'-(4-ethyl-3-methoxy-2-phenyl)ethane | 212848-24-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(4-hydroxy-3-methoxybenzyl)-1'-(4-ethyl-3-methoxy-2-phenyl)ethane
• 英文别名: 4-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxyphenol
• CAS: 212848-24-3
• 化学式: C₁₈H₂₂O₄
• 分子量: 302.37
• InChiKey: ZLKFOCMBSZNKFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  哌啶 、 聚合甲醛 、 1-(4-hydroxy-3-methoxybenzyl)-1'-(4-ethyl-3-methoxy-2-phenyl)ethane 以 乙醇 、 水 为溶剂， 反应 24.0h， 以100%的产率得到1-(5-piperidinomethyl-4-hydroxy-3-methoxybenzyl)-1'-(4-ethyl-3-methoxy-2-phenyl)ethane
  参考文献：
  名称：

  Coupling P-31 NMR with the Mannich reaction for the quantitative analysis of lignin

  摘要：

  The reactivity of lignin model compounds under Mannich conditions with piperidine and formaldehyde was studied. The piperidinomethyl group was confirmed to be introduced quantitatively at sterically unhindered positions ortho to a phenolic hydroxyl when the substrate was allowed to react under ambient conditions. The sequential application of the Mannich reaction followed by quantitative P-31 NMR on a variety of lignin samples allowed the amounts of various aromatic groups bearing free phenolic hydroxyls to be determined. More specifically, the technique allowed the quantification of para-hydroxyl phenols, catechols, guaiacols, and phenols bearing C-5 or C-6 substituents. The quantitative reliability of the technique was also examined with a series of dissolved kraft lignins, isolated at various degrees of delignification. The data were found to favourably compare to those obtained by permanganate oxidation.

  DOI：

  10.1139/cjc-76-5-612
• 作为产物：
  描述：

  4-羟基-3-甲氧基-α-甲基苯甲醇 在 氢氧化钾 、 钾硼氢 作用下， 以 溶剂黄146 为溶剂， 生成 1-(4-hydroxy-3-methoxybenzyl)-1'-(4-ethyl-3-methoxy-2-phenyl)ethane
  参考文献：
  名称：

  Pavlickova,L. et al., Collection of Czechoslovak Chemical Communications, 1976, vol. 41, p. 299 - 310

  摘要：

  DOI：