2,5-di-o-tolyl-thiazolo[5,4-d]thiazole | 15762-88-6

• 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: 2,5-di-o-tolyl-thiazolo[5,4-d]thiazole
• 英文别名: 2,5-Bis(2-methylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
• CAS: 15762-88-6
• 化学式: C₁₈H₁₄N₂S₂
• 分子量: 322.455
• InChiKey: WLFVLESAULILRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-di-o-tolyl-thiazolo[5,4-d]thiazole 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 氘代苯 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  BN-Heterocycles Bearing Two BN Units: Influence of the Linker and the Location of BN Units on Electronic Properties and Photoreactivity

  摘要：

  Four diboron BN-heterocycles bearing two BN units have been synthesized via double lithiation/borylation with the aim to examine their thermal and photoelimination properties. In two of the BN-heterocycles, (BN)(2)-1 and (BN)(2)-4, the BN units share the central linker unit, while the other two BN-heterocycles (BN)(2)-2 and (BN)(2)-3 are isomers with a benzene ring in the middle of the backbone separating the two chelate units. Only compound (BN)(2)-3 can thermally and photochemically undergo complete double elimination producing green fluorescent (BN)(2)-3a due to the highly crowded boron centers. (BN)(2)-2 can partially convert (similar to 56%) to (BN)(2)-2a under 350 rim UV irradiation. (BN)(2)-1 and (BN)(2)-4 are either inactive or unstable toward photolysis. The molecular structures and electronic properties of these (BN)(2)-heterocycles have been investigated experimentally as well as computationally using TD-DFT to further elucidate the origin of differences in optical and electronic properties.

  DOI：

  10.1021/acs.organomet.7b00261
• 作为产物：
  描述：

  二硫代乙酰胺 、 2-甲基苯甲醛 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以64%的产率得到2,5-di-o-tolyl-thiazolo[5,4-d]thiazole
  参考文献：
  名称：

  BN-Heterocycles Bearing Two BN Units: Influence of the Linker and the Location of BN Units on Electronic Properties and Photoreactivity

  摘要：

  Four diboron BN-heterocycles bearing two BN units have been synthesized via double lithiation/borylation with the aim to examine their thermal and photoelimination properties. In two of the BN-heterocycles, (BN)(2)-1 and (BN)(2)-4, the BN units share the central linker unit, while the other two BN-heterocycles (BN)(2)-2 and (BN)(2)-3 are isomers with a benzene ring in the middle of the backbone separating the two chelate units. Only compound (BN)(2)-3 can thermally and photochemically undergo complete double elimination producing green fluorescent (BN)(2)-3a due to the highly crowded boron centers. (BN)(2)-2 can partially convert (similar to 56%) to (BN)(2)-2a under 350 rim UV irradiation. (BN)(2)-1 and (BN)(2)-4 are either inactive or unstable toward photolysis. The molecular structures and electronic properties of these (BN)(2)-heterocycles have been investigated experimentally as well as computationally using TD-DFT to further elucidate the origin of differences in optical and electronic properties.

  DOI：

  10.1021/acs.organomet.7b00261

文献信息

• MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Takata Yoshiyuki

  公开号：US20090156827A1

  公开（公告）日：2009-06-18

  An object of the present invention is to provide a material for high-brightness, high-efficiency, longer-life organic EL elements and an organic EL element produced by using the same. Provided is a material for organic EL elements, comprising a compound represented by the following General Formula (1): wherein, R 1 and R 2 each independently represent a substituted or unsubstituted alkyl group, a substituted or unsubstituted aryl group or a substituted or unsubstituted heterocyclic group.

  本发明的一个目的是提供一种用于高亮度、高效率、长寿命有机EL元件的材料，以及利用该材料制备的有机EL元件。提供了一种用于有机EL元件的材料，包括由以下一般式（1）表示的化合物：其中，R1和R2各自独立地表示取代或未取代的烷基基团、取代或未取代的芳基团或取代或未取代的杂环基团。
• BN-Heterocycles Bearing Two BN Units: Influence of the Linker and the Location of BN Units on Electronic Properties and Photoreactivity
  作者：Deng-Tao Yang、Yonggang Shi、Tai Peng、Suning Wang

  DOI：10.1021/acs.organomet.7b00261

  日期：2017.7.24

  Four diboron BN-heterocycles bearing two BN units have been synthesized via double lithiation/borylation with the aim to examine their thermal and photoelimination properties. In two of the BN-heterocycles, (BN)(2)-1 and (BN)(2)-4, the BN units share the central linker unit, while the other two BN-heterocycles (BN)(2)-2 and (BN)(2)-3 are isomers with a benzene ring in the middle of the backbone separating the two chelate units. Only compound (BN)(2)-3 can thermally and photochemically undergo complete double elimination producing green fluorescent (BN)(2)-3a due to the highly crowded boron centers. (BN)(2)-2 can partially convert (similar to 56%) to (BN)(2)-2a under 350 rim UV irradiation. (BN)(2)-1 and (BN)(2)-4 are either inactive or unstable toward photolysis. The molecular structures and electronic properties of these (BN)(2)-heterocycles have been investigated experimentally as well as computationally using TD-DFT to further elucidate the origin of differences in optical and electronic properties.