4-(4-bromophenylamino)-3-(4-bromophenylimino)-2,5-di(4-tert-butylphenyl)-2,3-dihydrothiophene-1,1-dioxide | 1190622-49-1

• 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: 4-(4-bromophenylamino)-3-(4-bromophenylimino)-2,5-di(4-tert-butylphenyl)-2,3-dihydrothiophene-1,1-dioxide
• 英文别名: N-(4-bromophenyl)-4-(4-bromophenyl)imino-2,5-bis(4-tert-butylphenyl)-1,1-dioxothiophen-3-amine
• CAS: 1190622-49-1
• 化学式: C₃₆H₃₆Br₂N₂O₂S
• 分子量: 720.568
• InChiKey: OKZYBLYOBPQOOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  di(4-tert-butylbenzyl) sulfone 、 oxalic acid N,N'-bis(4-bromophenyl)imidoyl dichloride 在 potassium tert-butylate 、 盐酸 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 反应 0.58h， 以79%的产率得到4-(4-bromophenylamino)-3-(4-bromophenylimino)-2,5-di(4-tert-butylphenyl)-2,3-dihydrothiophene-1,1-dioxide
  参考文献：
  名称：

  Synthesis of New Lipophilic Sulfones and Their Use in Cyclization Reactions

  摘要：

  Analytically pure novel dibenzylsulfanes 2a,b were synthesized by established reactions. Their oxidation by hydrogen peroxide resulted in the formation of the corresponding sulfones 3a,b, which were isolated in high yields. Analogously, the new bis-sulfone 7 was prepared starting from bis-bromo derivative 4 via bis-sulfane 6. The sulfones obtained reacted readily with bis-imidoylchlorides 8, yielding highly substituted dihydrothiophene-S,S-dioxides of type 9 and 10. Due to their vicinal amino-imino substructures, these cyclic sulfones proved to be excellent chelating ligands, exemplified by the preparation of the palladium complex 11.

  DOI：

  10.1080/10426500902855208