2,3-bis(bromomethyl)thieno[3,4-b]pyrazine | 1072831-35-6

• 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: 2,3-bis(bromomethyl)thieno[3,4-b]pyrazine
• CAS: 1072831-35-6
• 化学式: C₈H₆Br₂N₂S
• 分子量: 322.023
• InChiKey: WLMURBCBRZFFGU-UHFFFAOYSA-N

物化性质

• 沸点：
  355.0±37.0 °C(Predicted)
• 密度：
  2.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-bis(bromomethyl)thieno[3,4-b]pyrazine 在 氢氧化钾 作用下， 以 水 、 乙腈 为溶剂， 反应 3.0h， 以50%的产率得到1,3-dihydrofuro[3,4-e]thieno[3,4-b]pyrazine
  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
• 作为产物：
  描述：

  3,4-二氨基噻吩二氢溴酸盐 、 1,4-二溴-2,3-丁二酮 以 乙醇 为溶剂， 反应 3.0h， 以65%的产率得到2,3-bis(bromomethyl)thieno[3,4-b]pyrazine
  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

• 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.