1,3-dihydro-8'-(3-methyl-1-phenyl-1H-pyrazol-4-ylmethyleneamino)-1,3,3-trimethylspiro{2H-indole-2,3'(3H)-naphtho[2,1-b][1,4]oxazine} | 1616297-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-dihydro-8'-(3-methyl-1-phenyl-1H-pyrazol-4-ylmethyleneamino)-1,3,3-trimethylspiro{2H-indole-2,3'(3H)-naphtho[2,1-b][1,4]oxazine}
• CAS: 1616297-48-3
• 化学式: C₃₃H₂₉N₅O₂
• 分子量: 527.626
• InChiKey: LUQCYHRIWLRRRA-UHFFFAOYSA-N

物化性质

• 熔点：
  269-271 °C
• 沸点：
  755.7±60.0 °C(predicted)
• 密度：
  1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.01
• 重原子数：
  40.0
• 可旋转键数：
  3.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75.24
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1,3-dihydro-8'-(3-methyl-1-phenyl-1H-pyrazol-4-ylmethyleneamino)-1,3,3-trimethylspiro{2H-indole-2,3'(3H)-naphtho[2,1-b][1,4]oxazine} 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Preparation, photochromism, and complex formation with metal ions of pyrazolylazomethine derivative of spirooxazine

  摘要：

  New hybrid spirooxazine has been prepared, based on amino-substituted spironaphthoxazine and pyrazolone. Photochromism and photoinduced complex formation with metal ions of the prepared compound has been studied. The effects of solvent polarity and the metal ion nature on the spirooxazine photochromism and the complex formation ability have been elucidated.

  DOI：

  10.1134/s1070363214050259
• 作为产物：
  描述：

  5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 、 1,3-dihydro-8'-amino-1,3,3-trimethylspiro{2H-indole-2,3'-(3H)-naphtho[2,1-b][1,4]oxazine} 以 乙醇 为溶剂， 反应 3.0h， 以76%的产率得到1,3-dihydro-8'-(3-methyl-1-phenyl-1H-pyrazol-4-ylmethyleneamino)-1,3,3-trimethylspiro{2H-indole-2,3'(3H)-naphtho[2,1-b][1,4]oxazine}
  参考文献：
  名称：

  Preparation, photochromism, and complex formation with metal ions of pyrazolylazomethine derivative of spirooxazine

  摘要：

  New hybrid spirooxazine has been prepared, based on amino-substituted spironaphthoxazine and pyrazolone. Photochromism and photoinduced complex formation with metal ions of the prepared compound has been studied. The effects of solvent polarity and the metal ion nature on the spirooxazine photochromism and the complex formation ability have been elucidated.

  DOI：

  10.1134/s1070363214050259