2-(3,4,5-tris(hexyloxy)styryl)thiophene | 1241825-86-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3,4,5-tris(hexyloxy)styryl)thiophene
• CAS: 1241825-86-4
• 化学式: C₃₀H₄₆O₃S
• 分子量: 486.759
• InChiKey: TUMMGIXFPYQBNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  34.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(3,4,5-tris(hexyloxy)styryl)thiophene 、 N,N-二甲基甲酰胺 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Benzothiadiazole-Based D−π-A−π-D Organic Dyes with Tunable Band Gap: Synthesis and Photophysical Properties

  摘要：

  A series of symmetrical D-pi-A-pi-D molecules based on benzothiadiazole and oligo(thienylenevinylene)s were facilely developed. The investigation of their photophysical and electrochemical properties demonstrated that these compounds exhibited broad absorption covering the whole visible range with appropriate energy levels for light-harvesting donors.

  DOI：

  10.1021/ol101754q
• 作为产物：
  描述：

  2-(噻吩甲基)膦酸二乙酯 、 3,4,5-tris(hexyloxy)benzaldehyde 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到2-(3,4,5-tris(hexyloxy)styryl)thiophene
  参考文献：
  名称：

  Benzothiadiazole-Based D−π-A−π-D Organic Dyes with Tunable Band Gap: Synthesis and Photophysical Properties

  摘要：

  A series of symmetrical D-pi-A-pi-D molecules based on benzothiadiazole and oligo(thienylenevinylene)s were facilely developed. The investigation of their photophysical and electrochemical properties demonstrated that these compounds exhibited broad absorption covering the whole visible range with appropriate energy levels for light-harvesting donors.

  DOI：

  10.1021/ol101754q