3,4-bis(2-thienoyl)-1,2,5-oxadiazole | 298687-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3,4-bis(2-thienoyl)-1,2,5-oxadiazole
• 英文别名: Furazan, 3,4-di(2-thienoyl)-；[4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-3-yl]-thiophen-2-ylmethanone
• CAS: 298687-94-2
• 化学式: C₁₂H₆N₂O₃S₂
• 分子量: 290.323
• InChiKey: YVOCBTNFVCGYIE-UHFFFAOYSA-N

物化性质

• 沸点：
  528.4±60.0 °C(Predicted)
• 密度：
  1.497±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3,4-bis(2-thienoyl)-1,2,5-oxadiazole 在 氢氧化钾 作用下， 以 乙醇 、 水 、 正丁醇 为溶剂， 反应 50.55h， 生成 4,7-di(2-thienyl)-1,2,5-oxadiazolo[3,4-c]pyridine
  参考文献：
  名称：

  Preparation of 4,7-Dihetaryl-1,2,5-oxadiazolo[3,4-c]pyridines as Red Fluorescent Materials

  摘要：

  DOI：

  10.3987/com-01-s(k)64
• 作为产物：
  描述：

  2-乙酰基噻吩 在 硝酸 、 锌 作用下， 生成 3,4-bis(2-thienoyl)-1,2,5-oxadiazole
  参考文献：
  名称：

  Fluorescence spectroscopic characterization of 4,7-bis(2-thienyl)-1,2,5-oxadiazolo[3,4-c]pyridine; lead structure of new red-emitting EL material

  摘要：

  The spectroscopic parameters of 4,7-bis(2-thienyl)-1,2,5-oxadiazolo[3,4-c]pyridine (DTOP) were determined which was designed as a red-emitting dye for the electroluminescent (EL) device. The main optical transition of DTOP is attributable to La-1, and therefore, the fluorescence maximum shifted to the red side to reach to 630 nm according to the solvents. Although the non-radiative transition rate was enhanced, when the fluorescence maximum shifts to the longer than 610 nm, DTOP maintains the higher radiation transition probability. (C) 2002 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0009-2614(02)00147-1

文献信息

• Preparation of 4,7-Dihetaryl-1,2,5-oxadiazolo[3,4-c]pyridines as Red Fluorescent Materials
  作者：Shuntaro Mataka、Hideki Gorohmaru、Thies Thiemann、Tsuyoshi Sawada、Kazufumi Takahashi、Katsumi Nishi-i、Naoko Ochi、Yoshio Kosugi

  DOI：10.3987/com-01-s(k)64

  日期：——
• Fluorescence spectroscopic characterization of 4,7-bis(2-thienyl)-1,2,5-oxadiazolo[3,4-c]pyridine; lead structure of new red-emitting EL material
  作者：Toshiaki Koga、Akiara Takase、Seiji Yasuda、Shoji Yamashita、Hideki Gorohmaru、Thies Thiemann、Shuntaro Mataka、Kazufumi Takahashi

  DOI：10.1016/s0009-2614(02)00147-1

  日期：2002.3

  The spectroscopic parameters of 4,7-bis(2-thienyl)-1,2,5-oxadiazolo[3,4-c]pyridine (DTOP) were determined which was designed as a red-emitting dye for the electroluminescent (EL) device. The main optical transition of DTOP is attributable to La-1, and therefore, the fluorescence maximum shifted to the red side to reach to 630 nm according to the solvents. Although the non-radiative transition rate was enhanced, when the fluorescence maximum shifts to the longer than 610 nm, DTOP maintains the higher radiation transition probability. (C) 2002 Published by Elsevier Science B.V.