4-(((4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl)imino)methyl)naphthalen-1-ol | 1262232-63-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(((4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl)imino)methyl)naphthalen-1-ol
• CAS: 1262232-63-2
• 化学式: C₂₇H₃₂N₂O₅
• 分子量: 464.561
• InChiKey: AQVKDKPKZLAGJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  34.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  72.75
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4-羟基-1-萘甲醛 、 N-(4-aminophenyl)aza-15-crown-5 以 苯 为溶剂， 以93%的产率得到4-(((4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)phenyl)imino)methyl)naphthalen-1-ol
  参考文献：
  名称：

  Tautocrowns: Aza-15-Crown Moiety Conjugated to a Tautomeric Schiff Base

  摘要：

  The spectral properties of a tautomeric Schiff base containing aza-15-crown-5 moiety, namely N-((4-methylnaphthalen-1-yl)methylene)-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)aniline on addition of alkali and alkaline earth metal ions were investigated. The newly synthesized ligand exhibited very interesting color changes in presence of metal ions: from yellow (free ligand) via colorlessness (enol tautomer complex) to yellow-orange (keto tautomer complex). These changes result from 2 stepwise processes: complex formation and shift of the tautomeric equilibrium between the tautomers after addition of the metal ions.

  DOI：

  10.1080/00387010903260273