meso-6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(methylene)bis{4-methyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-exo-2-yl)phenol} | 1402592-50-0

• 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: meso-6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(methylene)bis{4-methyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-exo-2-yl)phenol}
• CAS: 1402592-50-0
• 化学式: C₄₈H₇₄N₂O₆
• 分子量: 775.125
• InChiKey: CJKQNFDMYHDUQP-KSDAPDBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.96
• 重原子数：
  56.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  83.86
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 二氮杂18-冠醚-6 、 2-isobornyl-4-methylphenol 以 苯 为溶剂， 生成 rac-6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(methylene)bis{4-methyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-exo-2-yl)phenol} 、 meso-6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(methylene)bis{4-methyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-exo-2-yl)phenol}
  参考文献：
  名称：

  New derivatives obtained from ortho-isobornylphenols and 4,13-diaza-18-crown-6

  摘要：

  New aminomethyl derivatives were synthesized via Mannich reaction of 4,13-diaza-18-crown-6 with racemic 2-isobornyl-4-methylphenol and 2-isobornylphenol. The diastereoisomers (meso-form and racemate) derived from the racemic terpenophenols were detected by the C-13 NMR spectroscopy. The signals were assigned by comparison with the C-13 NMR spectrum of the enantiomer of one of the derivatives. The optically active disubstituted diaza-crown-ether molecule was studied by the XRD analysis that showed the presence of the intramolecular hydrogen bonds.

  DOI：

  10.1134/s1070363212080142