4,5,6,7-tetrahydrobenzo[b]thiophene-2,3-dicarbonitrile | 186391-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 4,5,6,7-tetrahydrobenzo[b]thiophene-2,3-dicarbonitrile
• 英文别名: 4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarbonitrile
• CAS: 186391-41-3
• 化学式: C₁₀H₈N₂S
• 分子量: 188.253
• InChiKey: XIQTYGCYGMSBSP-UHFFFAOYSA-N

物化性质

• 沸点：
  381.8±42.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5,6,7-tetrahydrobenzo[b]thiophene-2,3-dicarbonitrile 、 magnesium(II) acetate tetrahydrate 在 lithium methanolate 作用下， 以 辛醇 为溶剂， 反应 8.0h， 以45%的产率得到2,3,8,9,14,15,20,21-octakis [4',5',6',7'-tetrahydrobenzo]tetra-2,3-thiophenophorphyrazine magnesium
  参考文献：
  名称：

  Novel planar and sandwich-type complexes of substituted tetrathieno[2,3-b] porphyrazine: Synthesis and investigation of properties

  摘要：

  An efficient synthetic approach to a novel substituted tetrathieno[2,3-b]porphyrazine, its Mg, Zn, Lu complexes and a Lu triple-decker complex was developed. Spectral properties and aggregation phenomena of the target compounds were investigated by UV/Vis spectroscopy and atomic force microscopy (AFM). Electrochromic behaviour of the Zn complex was studied by electrochemistry and spectroelectrochemistry. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.11.008
• 作为产物：
  描述：

  2-iodo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile 、 copper(l) cyanide 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以64%的产率得到4,5,6,7-tetrahydrobenzo[b]thiophene-2,3-dicarbonitrile
  参考文献：
  名称：

  Novel planar and sandwich-type complexes of substituted tetrathieno[2,3-b] porphyrazine: Synthesis and investigation of properties

  摘要：

  An efficient synthetic approach to a novel substituted tetrathieno[2,3-b]porphyrazine, its Mg, Zn, Lu complexes and a Lu triple-decker complex was developed. Spectral properties and aggregation phenomena of the target compounds were investigated by UV/Vis spectroscopy and atomic force microscopy (AFM). Electrochromic behaviour of the Zn complex was studied by electrochemistry and spectroelectrochemistry. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.11.008