1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazol-4-ium iodide | 1591678-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazol-4-ium iodide
• 英文别名: 1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazolium iodide；1-dibenzofuran-4-yl-4-methyl-1,2,4-triazol-4-ium;iodide
• CAS: 1591678-95-3
• 化学式: C₁₅H₁₂N₃O*I
• 分子量: 377.184
• InChiKey: YSFDHNAEEDSKLN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  34.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dichloro( 1,5-cyclooctadiene)platinum(ll) 、 1,3-二均三甲苯基-1,3-丙二酮 、 1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazol-4-ium iodide 在 silver(l) oxide 、 potassium tert-butylate 作用下， 以 1,4-二氧六环 、 丁酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 69.0h， 以22%的产率得到(1-(dibenzo[b,d]furan-4-yl)-κC³-4-methyl-1,2,4-triazol-5-ylidene-κC⁵)(1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dionato-κ²O,O)platinum(II)
  参考文献：
  名称：

  C^∧C* Cyclometalated Platinum(II) Complexes with Dibenzofuranyl-1,2,4-triazol-5-ylidene Ligands: Synthesis, Characterization, and Photoluminescent Properties

  摘要：

  Two series of new platinum(II) NHC complexes with C<^>C* cyclometalating 1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazole and 1-(dibenzo[b,d]furan-2-yl)-4-methyl-1H-1,2,4-triazole ligands and several beta-diketonato auxiliary ligands (acetylacetonato, dibenzoylmethanato, and dimesitoylmethanato) were synthesized, characterized (NMR spectroscopy, elemental analysis, and X-ray crystallography for two complexes) and investigated in terms of their photoluminescence properties. All complexes are strongly emissive at room temperature in a 2 wt % complex doped poly(methyl methacrylate) film at room temperature. Using dibenzoylmethanato as auxiliary ligand leads to a broad emssion band with a maximum in the green region of the spectrum, whereas the complexes with acetylacetonato and dimesitoylmethanato ligands reveal structured blue emissions with wavelengths that strongly depend on the arrangement of the dibenzo[b,d]furan (DBF) unit.

  DOI：

  10.1021/acs.organomet.5b00136
• 作为产物：
  描述：

  4-溴二苯并呋喃 在 copper(l) iodide 、 乌洛托品 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 生成 1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazol-4-ium iodide
  参考文献：
  名称：

  C^∧C* Cyclometalated Platinum(II) Complexes with Dibenzofuranyl-1,2,4-triazol-5-ylidene Ligands: Synthesis, Characterization, and Photoluminescent Properties

  摘要：

  Two series of new platinum(II) NHC complexes with C<^>C* cyclometalating 1-(dibenzo[b,d]furan-4-yl)-4-methyl-1H-1,2,4-triazole and 1-(dibenzo[b,d]furan-2-yl)-4-methyl-1H-1,2,4-triazole ligands and several beta-diketonato auxiliary ligands (acetylacetonato, dibenzoylmethanato, and dimesitoylmethanato) were synthesized, characterized (NMR spectroscopy, elemental analysis, and X-ray crystallography for two complexes) and investigated in terms of their photoluminescence properties. All complexes are strongly emissive at room temperature in a 2 wt % complex doped poly(methyl methacrylate) film at room temperature. Using dibenzoylmethanato as auxiliary ligand leads to a broad emssion band with a maximum in the green region of the spectrum, whereas the complexes with acetylacetonato and dimesitoylmethanato ligands reveal structured blue emissions with wavelengths that strongly depend on the arrangement of the dibenzo[b,d]furan (DBF) unit.

  DOI：

  10.1021/acs.organomet.5b00136

文献信息

• Transition metal complexes containing triazole and tetrazole carbene ligands
  申请人：Universal Display Corporation

  公开号：US08692241B1

  公开（公告）日：2014-04-08

  Novel iridium complexes containing triazole and tetrazole carbene ligands are described. These metal complexes additionally contain dibenzo moieties such as dibenzothiophene and dibenzofuran, and the complexes have overall improved properties such as more saturated blue emission when used as emissive compounds in OLED devices.

  描述了含有三唑和四唑卡宾配体的新型铱配合物。这些金属配合物还含有二苯并噻吩和二苯并呋喃等二苯并基团，并且当作发光化合物在OLED器件中使用时，这些配合物具有更饱和的蓝色发射等改进性能。