4-[4-hydroxy-3-(hydroxymethyl)benzyl]-2,6-bis(hydroxymethyl)phenol

• 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: 4-[4-hydroxy-3-(hydroxymethyl)benzyl]-2,6-bis(hydroxymethyl)phenol
• 英文别名: 4-[[4-Hydroxy-3-(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol
• 化学式: C₁₆H₁₈O₅
• 分子量: 290.316
• InChiKey: RTRTULIUNFITJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  101
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[4-hydroxy-3-(hydroxymethyl)benzyl]-2,6-bis(hydroxymethyl)phenol 、 三甲氧基磷 反应 4.0h， 生成
  参考文献：
  名称：

  Synthesis of New Benzylic Di-, Tri-, and Tetraphosphonic Acids as Potential Chelating Agents

  摘要：

  New di-, tri-, and tetraphosphonic acids were synthesized starting from four ohydroxymethyl phenol derivatives and obtained in three steps in good overall yield. The phosphonic acids were isolated and purified using semi-preparative C-18 HPLC column. The new compounds were characterized using different spectroscopic methods (H-1, C-13, and P-31 NMR; ESI MS; and MSn, IR).

  DOI：

  10.1080/10426507.2010.502161
• 作为产物：
  描述：

  聚合甲醛 、 4,4'-二羟基二苯甲烷 在 lithium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 以25%的产率得到4-[4-hydroxy-3-(hydroxymethyl)benzyl]-2,6-bis(hydroxymethyl)phenol
  参考文献：
  名称：

  Synthesis of New Benzylic Di-, Tri-, and Tetraphosphonic Acids as Potential Chelating Agents

  摘要：

  New di-, tri-, and tetraphosphonic acids were synthesized starting from four ohydroxymethyl phenol derivatives and obtained in three steps in good overall yield. The phosphonic acids were isolated and purified using semi-preparative C-18 HPLC column. The new compounds were characterized using different spectroscopic methods (H-1, C-13, and P-31 NMR; ESI MS; and MSn, IR).

  DOI：

  10.1080/10426507.2010.502161

文献信息

• Synthesis of New Benzylic Di-, Tri-, and Tetraphosphonic Acids as Potential Chelating Agents
  作者：Nabila Aliouane、Jean-Jacques Hélesbeux、Tahar Douadi、Mustayeen A. Khan、Gilles Bouet、Salah Chafaa、Olivier Duval

  DOI：10.1080/10426507.2010.502161

  日期：2011.1.31

  New di-, tri-, and tetraphosphonic acids were synthesized starting from four ohydroxymethyl phenol derivatives and obtained in three steps in good overall yield. The phosphonic acids were isolated and purified using semi-preparative C-18 HPLC column. The new compounds were characterized using different spectroscopic methods (H-1, C-13, and P-31 NMR; ESI MS; and MSn, IR).