1-(4-morpolinophenyl)-2-(4-tertbutylphenyl)ethan-1,2-dione | 1174550-82-3

• 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: 1-(4-morpolinophenyl)-2-(4-tertbutylphenyl)ethan-1,2-dione
• 英文别名: 1-(4-Tert-butylphenyl)-2-(4-morpholin-4-ylphenyl)ethane-1,2-dione
• CAS: 1174550-82-3
• 化学式: C₂₂H₂₅NO₃
• 分子量: 351.445
• InChiKey: ZKUXTHWOJLJZOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-morpolinophenyl)-2-(4-tertbutylphenyl)ethan-1,2-dione 、 二氨基马来腈 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以73%的产率得到5-(4-(tert-butyl)phenyl)-6-(4-morpholinophenyl)pyrazine-2,3-dicarbonitrile
  参考文献：
  名称：

  Synthesis and Characterization of Novel Tetrapyrazinoporphyrazine Derivatives Containing Morpholine andtert-Butyl Group

  摘要：

  Tetrapyrazinoporphyrazine magnesium complexes were synthesized from 2,3-dicyano-5-(4-alkylphenyl)-6-(4-morpholinophenyl)pyrazine derivatives using freshly prepared solutions of magnesium butoxide in n-butanol. The corresponding metal-free derivatives were obtained by treatment with p-toluenesulfonic acid. Copper complexes were successfully synthesized using excess cuprous chloride and DBU (1,8-diazabicyclo[5,4,0]-7-undecene) as a catalyst in o-dichlorobenzene under reflux. The tetrapyrazinoporphyrazines were characterized by elemental analysis, UV-visible spectra, IR, MALDI-TOF Ms and H-1-NMR spectra.

  DOI：

  10.1080/15421400903054121
• 作为产物：
  描述：

  吗啉 、 1-(4-bromophenyl)-2-(4-(tert-butyl)phenyl)ethane-1,2-dione 在 copper(l) iodide 、 potassium carbonate 、 L-脯氨酸 作用下， 以 二甲基亚砜 为溶剂， 反应 21.0h， 以56%的产率得到1-(4-morpolinophenyl)-2-(4-tertbutylphenyl)ethan-1,2-dione
  参考文献：
  名称：

  Synthesis and Characterization of Novel Tetrapyrazinoporphyrazine Derivatives Containing Morpholine andtert-Butyl Group

  摘要：

  Tetrapyrazinoporphyrazine magnesium complexes were synthesized from 2,3-dicyano-5-(4-alkylphenyl)-6-(4-morpholinophenyl)pyrazine derivatives using freshly prepared solutions of magnesium butoxide in n-butanol. The corresponding metal-free derivatives were obtained by treatment with p-toluenesulfonic acid. Copper complexes were successfully synthesized using excess cuprous chloride and DBU (1,8-diazabicyclo[5,4,0]-7-undecene) as a catalyst in o-dichlorobenzene under reflux. The tetrapyrazinoporphyrazines were characterized by elemental analysis, UV-visible spectra, IR, MALDI-TOF Ms and H-1-NMR spectra.

  DOI：

  10.1080/15421400903054121