2,7-diethyl-4,9-bis(3-N,N-diethylsulfamoyl-4-methoxyphenyl)-3a,5a,8a,10a-tetrahydro-(2H,5H,7H,10H)-pyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8-tetrone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,7-diethyl-4,9-bis(3-N,N-diethylsulfamoyl-4-methoxyphenyl)-3a,5a,8a,10a-tetrahydro-(2H,5H,7H,10H)-pyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8-tetrone
• 英文别名: 5-[14-[3-(diethylsulfamoyl)-4-methoxyphenyl]-4,11-diethyl-3,5,10,12-tetraoxo-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecan-7-yl]-N,N-diethyl-2-methoxybenzenesulfonamide
• 化学式: C₃₆H₄₈N₆O₁₀S₂
• 分子量: 788.943
• InChiKey: XLTZUBKCLOJPER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  191
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  4-甲氧基二氮苯甲醛 在 氯磺酸 、 氯化亚砜 作用下， 以 甲醇 、 xylene 为溶剂， 反应 192.0h， 生成 2,7-diethyl-4,9-bis(3-N,N-diethylsulfamoyl-4-methoxyphenyl)-3a,5a,8a,10a-tetrahydro-(2H,5H,7H,10H)-pyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8-tetrone
  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

文献信息

• Synthesis of Di- and Tetra-Sulfonated Heterocyclic Compounds by Crisscross Cycloaddition Reactions
  作者：Augusto C. Tomé、José A. S. Cavaleiro、Fernando M. J. Domingues、Richard J. Cremlyn

  DOI：10.1080/104265090930362

  日期：2005.12

  Using sulfonated diaryl azines and sulfonated N-arylmaleimides as starting reagents, a range of di- and tetra-sulfonated crisscross cycloadducts were selectively prepared. While the di-sulfonated adducts were obtained by carrying out the cycloaddition reaction in solution, the tetra-sulfonated adducts could be obtained only by fusion of the two reagents in the absence of solvent. The stereoisomers of the sulfonated cycloadducts were separated by preparative TLC.