4-(((4-hydroxybenzyl)amino)methyl)-2-methoxyphenol | 1393660-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(((4-hydroxybenzyl)amino)methyl)-2-methoxyphenol
• 英文别名: 4-[[(4-Hydroxyphenyl)methylamino]methyl]-2-methoxyphenol；4-[[(4-hydroxyphenyl)methylamino]methyl]-2-methoxyphenol
• CAS: 1393660-51-9
• 化学式: C₁₅H₁₇NO₃
• 分子量: 259.305
• InChiKey: QQJQDRUACUENNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(((4-hydroxybenzyl)amino)methyl)-2-methoxyphenol 、 1,2-bis{2-[2-(2-tosylethoxy)ethoxy]ethoxy}benzene 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 84.0h， 生成 7-Methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene
  参考文献：
  名称：

  Synthesis of [2]Catenanes by Template-Directed Clipping Approach

  摘要：

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.

  DOI：

  10.1021/jo3012804
• 作为产物：
  描述：

  (E)-4-(((4-hydroxybenzyl)imino)methyl)-2-methoxyphenol 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以85%的产率得到4-(((4-hydroxybenzyl)amino)methyl)-2-methoxyphenol
  参考文献：
  名称：

  Synthesis of [2]Catenanes by Template-Directed Clipping Approach

  摘要：

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.

  DOI：

  10.1021/jo3012804

文献信息

• Synthesis of [2]Catenanes by Template-Directed Clipping Approach
  作者：Ziyong Li、Wenju Liu、Jishan Wu、Sheng Hua Liu、Jun Yin

  DOI：10.1021/jo3012804

  日期：2012.8.17

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.