6'-methyl-6'H-[6,9']bi[dibenzo[c,e][1,2]thiazinyl] 5,5,5',5'-tetraoxide | 40182-16-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 6'-methyl-6'H-[6,9']bi[dibenzo[c,e][1,2]thiazinyl] 5,5,5',5'-tetraoxide
• 英文别名: 9-(5,5-Dioxobenzo[c][1,2]benzothiazin-6-yl)-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
• CAS: 40182-16-9
• 化学式: C₂₅H₁₈N₂O₄S₂
• 分子量: 474.561
• InChiKey: YXHJVEXDQSLQNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-苯基苯磺酰胺 在 sodium hydroxide 、 dipotassium peroxodisulfate 、 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 生成 6'-methyl-6'H-[6,9']bi[dibenzo[c,e][1,2]thiazinyl] 5,5,5',5'-tetraoxide
  参考文献：
  名称：

  过硫酸盐的氧化。第九部分 联苯-2-磺酰胺和邻苯氧基苯磺酰胺的氧化

  摘要：

  用过硫酸盐氧化联苯-2-磺酰胺产生磺酰胺基，其在分子内环化成舒马末。相反，类似产生的N-甲基-邻-苯氧基苯磺酰胺基重排为邻-羟基-N-甲基-N-苯基苯磺酰胺。联苯-2-磺酸与过硫酸盐的氧化环化是不可行的，仅产生了痕量的草硫磷。

  DOI：

  10.1039/p19720002862

文献信息

• 5,6-DIPHENYL-5,6-DIHYDRO-DIBENZ[C,E][1,2]AZAPHOSPHORIN AND 6-PHENYL-6H-DIBENZO[C,E][1,2]THIAZIN-5,5-DIOXIDE DERIVATIVES AND SIMILAR COMPOUNDS AS ORGANIC ELECTROLUMINESCENT MATERIALS FOR OLEDS
  申请人：Merck Patent GmbH

  公开号：US20220020934A1

  公开（公告）日：2022-01-20

  The present invention relates to 5,6-diphenyl-5,6-dihydrodibenz[c,e][1,2]azaphosphorin and 6-phenyl-6H-dibenzo[c,e][1,2]thiazine 5,5-dioxide derivatives and similar compounds of the formula (1) as organic electroluminescent materials for use in organic electroluminescent devices, for example in organic light-emitting diodes (OLEDs), where the symbols used are as follows: Z is the same or different at each instance and is PAr 2 or S(═O); E is the same or different at each instance and is O or S when the symbol Z to which this E binds is PAr 2 , and O when the symbol Z to which this E binds is S(═O); L is selected from the group consisting of a single bond, NAr 2 , O, S, S(═O) 2 , P(═O)Ar 2 , —X═X— and —C(═O)—NAr 2 ; the rest of the symbols are defined in the claims. The present invention discloses synthesis examples of inventive compounds, productions of OLEDs containing these example compounds, and results for these electroluminescent devices.