5,7-dibromothieno[3,4-b]pyrazine-2,3(1H,4H)-dione | 195831-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,7-dibromothieno[3,4-b]pyrazine-2,3(1H,4H)-dione
• 英文别名: 5,7-Dibromo-1,4-dihydrothieno[3,4-b]pyrazine-2,3-dione
• CAS: 195831-20-0
• 化学式: C₆H₂Br₂N₂O₂S
• 分子量: 325.968
• InChiKey: FSPJSMPFEYSDLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 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：
  86.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tetrahydro-1,2,3,4 dioxo-2,3 thieno<3,4-b>pyrazine 在 1,4-二氧六环 、 溴 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以90%的产率得到5,7-dibromothieno[3,4-b]pyrazine-2,3(1H,4H)-dione
  参考文献：
  名称：

  Synthesis and Characterization of New 2,3-Disubstituted Thieno[3,4-b]pyrazines: Tunable Building Blocks for Low Band Gap Conjugated Materials

  摘要：

  Synthetic methods have been developed for the preparation of new 2,3-dihalothieno[3,4-b]pyrazines, from which a variety of new 23-difunctionalized thieno[3,4-b]pyrazines have been produced as precursors to conjugated materials. Structural, electronic, and optical characterization of these new analogues illustrate the extent to which the electronic nature of the functional groups can be used 10 tune the electronic properties of the thieno[3,4-b]pyrazine unit.

  DOI：

  10.1021/jo801632z

文献信息

• SUBSTITUIERTE POLYTHIOPHENE, VERFAHREN ZU DEREN HERSTELLUNG, UND DEREN VERWENDUNG
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0885251B1

  公开（公告）日：2001-08-16
• US6242561B1
  申请人：——

  公开号：US6242561B1

  公开（公告）日：2001-06-05
• Synthesis and Characterization of New 2,3-Disubstituted Thieno[3,4-<i>b</i>]pyrazines: Tunable Building Blocks for Low Band Gap Conjugated Materials
  作者：Li Wen、Jon P. Nietfeld、Chad M. Amb、Seth C. Rasmussen

  DOI：10.1021/jo801632z

  日期：2008.11.7

  Synthetic methods have been developed for the preparation of new 2,3-dihalothieno[3,4-b]pyrazines, from which a variety of new 23-difunctionalized thieno[3,4-b]pyrazines have been produced as precursors to conjugated materials. Structural, electronic, and optical characterization of these new analogues illustrate the extent to which the electronic nature of the functional groups can be used 10 tune the electronic properties of the thieno[3,4-b]pyrazine unit.