3,4,7,8-dibenzo-2,6-dithia-1,5-diaza-1,2,5,6-tetrahydroanthracene 2,6-dioxide | 97426-96-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,4,7,8-dibenzo-2,6-dithia-1,5-diaza-1,2,5,6-tetrahydroanthracene 2,6-dioxide
• 英文别名: 10lambda6,21lambda6-Dithia-11,22-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19-nonaene 10,10,21,21-tetraoxide；10λ6,21λ6-dithia-11,22-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19-nonaene 10,10,21,21-tetraoxide
• CAS: 97426-96-5
• 化学式: C₁₈H₁₂N₂O₄S₂
• 分子量: 384.436
• InChiKey: ZIPBJHOFYQLTBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,4,7,8-dibenzo-2,6-dithia-1,5-diaza-1,2,5,6-tetrahydroanthracene 2,6-dioxide 在 碘苯二乙酸 作用下， 以 苯 为溶剂， 反应 2.5h， 以60%的产率得到3,4,7,8-dibenzo-2,6-dithia-1,5-diaza-2,6-dihydroanthracene 2,6-dioxide
  参考文献：
  名称：

  Synthesis of 3,4,7,8-bis(3-R-benzo)-2,6-dithia-1,5-diaza-2,6-dihydroanthracene 2,6-dioxides

  摘要：

  DOI：

  10.1007/bf00506666
• 作为产物：
  描述：

  3,4,7,8-dibenzo-2,6-dithia-1,5-diaza-2,6-dihydroanthracene 2,6-dioxide 在 锌 作用下， 以 溶剂黄146 为溶剂， 反应 0.33h， 以98%的产率得到3,4,7,8-dibenzo-2,6-dithia-1,5-diaza-1,2,5,6-tetrahydroanthracene 2,6-dioxide
  参考文献：
  名称：

  Synthesis of 3,4,7,8-bis(3-R-benzo)-2,6-dithia-1,5-diaza-2,6-dihydroanthracene 2,6-dioxides

  摘要：

  DOI：

  10.1007/bf00506666

文献信息

• BURMISTROV, K. S.;VAKULENKO, LA. V.;BURMISTROV, S. I., XIMIYA GETEROTSIKL. SOEDIN., 1985, N 3, 343-345
  作者：BURMISTROV, K. S.、VAKULENKO, LA. V.、BURMISTROV, S. I.

  DOI：——

  日期：——
• 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.