2,9-di-(2-methoxyphenyl)-5,12-diethyl-1,5,8,12-tetraazatetracyclo[6.6.0^3,7.0^10,14]tetradecane-4,6,11,13-tetraone | 201536-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2,9-di-(2-methoxyphenyl)-5,12-diethyl-1,5,8,12-tetraazatetracyclo[6.6.0^3,7.0^10,14]tetradecane-4,6,11,13-tetraone
• 英文别名: 4,11-diethyl-7,14-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
• CAS: 201536-03-0
• 化学式: C₂₈H₃₀N₄O₆
• 分子量: 518.569
• InChiKey: GZMVQUCCUCDSJW-UHFFFAOYSA-N

物化性质

• 沸点：
  715.538±70.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.430±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  99.7
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2,9-di-(2-methoxyphenyl)-5,12-diethyl-1,5,8,12-tetraazatetracyclo[6.6.0^3,7.0^10,14]tetradecane-4,6,11,13-tetraone 在 氯磺酸 、 氯化亚砜 作用下， 反应 168.0h， 以67%的产率得到
  参考文献：
  名称：

  SOME SULFONYL CRISSCROSS CYCLOADDUCTS

  摘要：

  The dipolar cycloadducts from diaryl azines and maleimides ((1) under bar, <(20)under bar>) or maleic anhydride (<(18)under bar>) have been reacted with chlorosulfonic acid to give the bis- ((2) under bar, <(19)under bar>) or tetrachlorosulfonyl derivatives (<(21)under bar>). The chorosulfonation generally required addition of thionyl chloride. The various sulfonyl chlorides were converted into a range of sulfonamides ((3) under bar-<(11)under bar>, <(13)under bar>-<(16)under bar>) and the N-butylsulfamate (<(12)under bar>). The N,N-dialkylsulfamonyl cycloadducts (<(23)under bar>, <(25)under bar>) were also obtained by cycloaddition of the bis-dimethylsulfamoyl 2-methoxybenzaldehyde azine (<(22)under bar>) and N-phenyl maleimide or the N-((p) under bar-diethylsulfamoylphenyl) maleimide (<(24)under bar>) with (p) under bar-tolualdehyde azine, although the former reaction did not go to completion.Attempts to carry out the cycloaddition between the two sulfamoyl reactants (<(22)under bar> and <(24)under bar>) were unsuccessful. The various sulfonamide derivatives will be screened as pesticides.

  DOI：

  10.1080/10426509708043497
• 作为产物：
  描述：

  N-乙基马来酰亚胺 、 1,2-bis(2-methoxybenzylidene)hydrazine 以 xylene 为溶剂， 反应 18.0h， 以35%的产率得到2,9-di-(2-methoxyphenyl)-5,12-diethyl-1,5,8,12-tetraazatetracyclo[6.6.0^3,7.0^10,14]tetradecane-4,6,11,13-tetraone
  参考文献：
  名称：

  SOME SULFONYL CRISSCROSS CYCLOADDUCTS

  摘要：

  The dipolar cycloadducts from diaryl azines and maleimides ((1) under bar, <(20)under bar>) or maleic anhydride (<(18)under bar>) have been reacted with chlorosulfonic acid to give the bis- ((2) under bar, <(19)under bar>) or tetrachlorosulfonyl derivatives (<(21)under bar>). The chorosulfonation generally required addition of thionyl chloride. The various sulfonyl chlorides were converted into a range of sulfonamides ((3) under bar-<(11)under bar>, <(13)under bar>-<(16)under bar>) and the N-butylsulfamate (<(12)under bar>). The N,N-dialkylsulfamonyl cycloadducts (<(23)under bar>, <(25)under bar>) were also obtained by cycloaddition of the bis-dimethylsulfamoyl 2-methoxybenzaldehyde azine (<(22)under bar>) and N-phenyl maleimide or the N-((p) under bar-diethylsulfamoylphenyl) maleimide (<(24)under bar>) with (p) under bar-tolualdehyde azine, although the former reaction did not go to completion.Attempts to carry out the cycloaddition between the two sulfamoyl reactants (<(22)under bar> and <(24)under bar>) were unsuccessful. The various sulfonamide derivatives will be screened as pesticides.

  DOI：

  10.1080/10426509708043497