<4,4'-(1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecyl)-7,16-diphenyl>-bis-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl-malononitril) | 144152-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: <4,4'-(1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecyl)-7,16-diphenyl>-bis-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl-malononitril)
• 英文别名: 2-[4-[16-[4-[dicyano-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]phenyl]-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanedinitrile
• CAS: 144152-88-5
• 化学式: C₅₀H₅₀N₁₀O₆
• 分子量: 887.01
• InChiKey: PFTBQMKHXYBVCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  66.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  203.9
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  <4,4'-(1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecyl)-7,16-diphenyl>-bis-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl-malononitril) 以 甲醇 为溶剂， 反应 6.0h， 以96%的产率得到<4,4'-(1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecyl)-7,16-diphenyl>-bis-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl-malonitril)
  参考文献：
  名称：

  Diphenyldiaza-18-krone-6-bis-pyrazoliden-acetonitril, ein neuer Chromoionophor Synthesen mit Nitrilen, 90.Mitt.

  摘要：

  An improved synthesis of 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecan (5) is presented and the reaction with 4-dicyanomethylene-3-methyl-1-phenyl-2-pyrazolin-5-on to the colorless adduct 6 described. By heating or photolysis 6 can be converted to the deeply colored polymethine 7. Complex formation constants with potassium ion by H-1-NMR-measurements have been determined.

  DOI：

  10.1007/bf00816852
• 作为产物：
  描述：

  1,2-Bis-(2-phenylaminoethoxy)-ethan 在 sodium carbonate 、 sodium iodide 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 260.75h， 生成 <4,4'-(1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadecyl)-7,16-diphenyl>-bis-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl-malononitril)
  参考文献：
  名称：

  Diphenyldiaza-18-krone-6-bis-pyrazoliden-acetonitril, ein neuer Chromoionophor Synthesen mit Nitrilen, 90.Mitt.

  摘要：

  An improved synthesis of 7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecan (5) is presented and the reaction with 4-dicyanomethylene-3-methyl-1-phenyl-2-pyrazolin-5-on to the colorless adduct 6 described. By heating or photolysis 6 can be converted to the deeply colored polymethine 7. Complex formation constants with potassium ion by H-1-NMR-measurements have been determined.

  DOI：

  10.1007/bf00816852