N1,N4-bis((3,3'''-didodecyl-[2,2':5',2'':5'',2'''-quaterthiophen]-5-yl)methylene)benzene-1,4-diamine | 1384110-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: N1,N4-bis((3,3'''-didodecyl-[2,2':5',2'':5'',2'''-quaterthiophen]-5-yl)methylene)benzene-1,4-diamine
• CAS: 1384110-14-8
• 化学式: C₈₈H₁₂₀N₂S₈
• 分子量: 1462.46
• InChiKey: OFWLOFYOTBXWLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.54
• 重原子数：
  98.0
• 可旋转键数：
  54.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N1,N4-bis((3,3'''-didodecyl-[2,2':5',2'':5'',2'''-quaterthiophen]-5-yl)methylene)benzene-1,4-diamine 在 锂硼氢 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以53%的产率得到N1,N4-bis((3,3'''-didodecyl-[2,2':5',2'':5'',2'''-quaterthiophen]-5-yl)methyl)benzene-1,4-diamine
  参考文献：
  名称：

  Bridged 3,3″′-didodecylquaterthiophene-based dimers: design, synthesis, and optoelectronic properties

  摘要：

  Five functionalized quaterthiophene dimers including a non-conjugated bridge have been designed and efficiently synthesized. The synthetic pathways explored toward these dimers revealed unexpected features, such as the direct formation of secondary and tertiary quaterthiophene amines through a procedure initially developed for the preparation of primary amine exclusively. All these dimers possess a promising potential for the elaboration of semiconducting materials with a charge transport of higher dimensionality compared to quaterthiophene. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.072
• 作为产物：
  描述：

  3,3'''-didodecyl-2,2′;5′,2″;5″,2'''-quaterthiophene-5-carbaldehyde 、 对苯二胺 以 乙醇 、 氯仿 为溶剂， 反应 20.0h， 生成 N1,N4-bis((3,3'''-didodecyl-[2,2':5',2'':5'',2'''-quaterthiophen]-5-yl)methylene)benzene-1,4-diamine
  参考文献：
  名称：

  Bridged 3,3″′-didodecylquaterthiophene-based dimers: design, synthesis, and optoelectronic properties

  摘要：

  Five functionalized quaterthiophene dimers including a non-conjugated bridge have been designed and efficiently synthesized. The synthetic pathways explored toward these dimers revealed unexpected features, such as the direct formation of secondary and tertiary quaterthiophene amines through a procedure initially developed for the preparation of primary amine exclusively. All these dimers possess a promising potential for the elaboration of semiconducting materials with a charge transport of higher dimensionality compared to quaterthiophene. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.072