[2H,2'H,5H,5'H-(E)-Δ^2,2'-bithiazole]-Δ^5,1",Δ^5',1"'-bis(dicyanomethane) | 319431-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2H,2'H,5H,5'H-(E)-Δ^2,2'-bithiazole]-Δ^5,1",Δ^5',1"'-bis(dicyanomethane)
• 英文别名: 2-[(2E)-2-[5-(dicyanomethylidene)-1,3-thiazol-2-ylidene]-1,3-thiazol-5-ylidene]propanedinitrile
• CAS: 319431-21-5
• 化学式: C₁₂H₂N₆S₂
• 分子量: 294.32
• InChiKey: KZTFWXSIYWPCFN-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  171
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲醇 、 [2H,2'H,5H,5'H-(E)-Δ^2,2'-bithiazole]-Δ^5,1",Δ^5',1"'-bis(dicyanomethane) 以 二氯甲烷 为溶剂， 生成 [(2H,5H-4-methoxythiazole)-(E)-Δ^2,2'-(2'H,5'H-thiazole)]-Δ^5,1",Δ^5',1"'-bis(dicyanomethane) 、 [2H,2'H,5H,5'H-(E)-Δ^2,2'-bis(methoxypyrazole)]-Δ^5,1",Δ^5',1"'-bis(dicyanomethane)
  参考文献：
  名称：

  Synthesis and characterization of novel strong electron acceptors: bithiazole analogues of tetracyanodiphenoquinodimethane (TCNDQ)

  摘要：

  Novel electron accepters, bithiazole analogues of tetracyanodiphenoquinodimethane (TCNDQ), were synthesized by using a Pd-catalyzed coupling reaction of a dibromated precursor with sodium dicyanomethanide. The new accepters show strong electron-accepting ability and small on-site Coulomb repulsion. The X-ray crystallographic analysis has revealed a planar structure containing a double bond with E-configuration. Several charge transfer complexes were obtained with electron donors such as tetrathiafulvalene (TTF), (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01482-9
• 作为产物：
  描述：

  [5,5'-bis(dicyanomethane)]-2,2'-bithiazole 在 对苯醌 作用下， 以 二氯甲烷 为溶剂， 以76%的产率得到[2H,2'H,5H,5'H-(E)-Δ^2,2'-bithiazole]-Δ^5,1",Δ^5',1"'-bis(dicyanomethane)
  参考文献：
  名称：

  Synthesis and characterization of novel strong electron acceptors: bithiazole analogues of tetracyanodiphenoquinodimethane (TCNDQ)

  摘要：

  Novel electron accepters, bithiazole analogues of tetracyanodiphenoquinodimethane (TCNDQ), were synthesized by using a Pd-catalyzed coupling reaction of a dibromated precursor with sodium dicyanomethanide. The new accepters show strong electron-accepting ability and small on-site Coulomb repulsion. The X-ray crystallographic analysis has revealed a planar structure containing a double bond with E-configuration. Several charge transfer complexes were obtained with electron donors such as tetrathiafulvalene (TTF), (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01482-9

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：BEIJING SUMMER SPROUT TECHNOLOGY CO., LTD.

  公开号：US20220020935A1

  公开（公告）日：2022-01-20

  Disclosed are a novel organic electroluminescent material and a device thereof. Such a novel organic electroluminescent material has a structure of Formula 1, and when applied to the organic electroluminescent device, can improve the balance of electrons and holes in the organic electroluminescent device and thus bring excellent device effects such as the improvement of external quantum efficiency, current efficiency, and service life. The novel organic electroluminescent material can be used to prepare organic semiconductor devices and is suitable for different types of organic semiconductor devices, including but not limited to fluorescent OLEDs, phosphorescent OLEDs, white OLEDs, laminated OLEDs, OTFTs, OPVs, etc. Further disclosed are an electroluminescent device comprising the organic electroluminescent material and a compound formulation comprising the organic electroluminescent material.

  本发明涉及一种新型有机电致发光材料及其器件。所述新型有机电致发光材料具有一种化学结构式1，当应用于有机电致发光器件时，可以改善有机电致发光器件中电子和空穴的平衡，从而带来卓越的器件效果，如提高外部量子效率、电流效率和使用寿命。该新型有机电致发光材料可用于制备有机半导体器件，并适用于不同类型的有机半导体器件，包括但不限于荧光OLED、磷光OLED、白色OLED、层压OLED、OTFT、OPV等。进一步公开了包括所述有机电致发光材料和化合物配方的电致发光器件。