5,5''-dicyano-2,2':5',2''-terthiophene-4,4''-dicarboxylic acid | 881853-42-5

• 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: 5,5''-dicyano-2,2':5',2''-terthiophene-4,4''-dicarboxylic acid
• 英文别名: 5-[5-(4-Carboxy-5-cyanothiophen-2-yl)thiophen-2-yl]-2-cyanothiophene-3-carboxylic acid
• CAS: 881853-42-5
• 化学式: C₁₆H₆N₂O₄S₃
• 分子量: 386.433
• InChiKey: CKJDUHIWJQMHFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  207
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5,5''-dicyano-2,2':5',2''-terthiophene-4,4''-dicarboxylic acid 在 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 N,N'-distearyl-5,5''-dicyano-2,2':5',2''-terthiophene-4,4''-dicarboxamide
  参考文献：
  名称：

  Synthesis and Mesogenic Properties of Novel Terthiophene Derivatives

  摘要：

  To develop novel oligothiophene-based liquid crystals involving hydrogen bonding, new terthiophene derivatives containing a stearylamide group, N,N'-distearyl-5,5"-dicyano-2,2':5',2"-terthiophene-4,4"-dicarboxamide (DNC18DCN 3T) and N,N'-distearyl-5,5'-dipropyl-2,2': 5',2'-terthiophene-4,4"-dicarboxamide (DNC18 DP3T), were designed and synthesized, and their thermal behavior examined. Although DNC(18)DP3T did not exhibit liquid crystallinity, DNC(18)DCN3T was found to form smectic A phase.

  DOI：

  10.1080/00397910500446290
• 作为产物：
  描述：

  alpha-三联噻吩 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 5,5''-dicyano-2,2':5',2''-terthiophene-4,4''-dicarboxylic acid
  参考文献：
  名称：

  Synthesis and Mesogenic Properties of Novel Terthiophene Derivatives

  摘要：

  To develop novel oligothiophene-based liquid crystals involving hydrogen bonding, new terthiophene derivatives containing a stearylamide group, N,N'-distearyl-5,5"-dicyano-2,2':5',2"-terthiophene-4,4"-dicarboxamide (DNC18DCN 3T) and N,N'-distearyl-5,5'-dipropyl-2,2': 5',2'-terthiophene-4,4"-dicarboxamide (DNC18 DP3T), were designed and synthesized, and their thermal behavior examined. Although DNC(18)DP3T did not exhibit liquid crystallinity, DNC(18)DCN3T was found to form smectic A phase.

  DOI：

  10.1080/00397910500446290

文献信息

• Synthesis and Mesogenic Properties of Novel Terthiophene Derivatives
  作者：Ping Liu、Miaomiao Liu、Wenji Deng

  DOI：10.1080/00397910500446290

  日期：2006.4.1

  To develop novel oligothiophene-based liquid crystals involving hydrogen bonding, new terthiophene derivatives containing a stearylamide group, N,N'-distearyl-5,5"-dicyano-2,2':5',2"-terthiophene-4,4"-dicarboxamide (DNC18DCN 3T) and N,N'-distearyl-5,5'-dipropyl-2,2': 5',2'-terthiophene-4,4"-dicarboxamide (DNC18 DP3T), were designed and synthesized, and their thermal behavior examined. Although DNC(18)DP3T did not exhibit liquid crystallinity, DNC(18)DCN3T was found to form smectic A phase.