5-(N-[4-(N-(5-carboxythiophen-2-yl)anilino)phenyl]anilino)thiophene-2-carboxylic acid | 349533-52-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-(N-[4-(N-(5-carboxythiophen-2-yl)anilino)phenyl]anilino)thiophene-2-carboxylic acid
• CAS: 349533-52-4
• 化学式: C₂₈H₂₀N₂O₄S₂
• 分子量: 512.61
• InChiKey: MDTBAUMYECFUDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-(N-[4-(N-(5-carboxythiophen-2-yl)anilino)phenyl]anilino)thiophene-2-carboxylic acid 生成 1-N,4-N-diphenyl-1-N,4-N-dithiophen-2-ylbenzene-1,4-diamine
  参考文献：
  名称：

  A Simple Route to N-Arylated 2-Aminothiophenes as a New Class of Amorphous Glass Forming Molecules

  摘要：

  [GRAPHICS]By thermal decarboxylation of N-arylated 2-aminothiophene-5-cacrboxylates, a versatile, heavy-metal free method for preparing the title compounds as new class of highly reactive and easily oxidable, amorphous glass forming molecules has been elaborated.

  DOI：

  10.1021/ol015875c
• 作为产物：
  描述：

  N,N'-diacetyl-N,N'-diphenyl-1,4-phenylenediamine 在 氢氧化钾 、 三乙胺 、 三氯氧磷 作用下， 以 甲醇 、 水 为溶剂， 生成 5-(N-[4-(N-(5-carboxythiophen-2-yl)anilino)phenyl]anilino)thiophene-2-carboxylic acid
  参考文献：
  名称：

  A Simple Route to N-Arylated 2-Aminothiophenes as a New Class of Amorphous Glass Forming Molecules

  摘要：

  [GRAPHICS]By thermal decarboxylation of N-arylated 2-aminothiophene-5-cacrboxylates, a versatile, heavy-metal free method for preparing the title compounds as new class of highly reactive and easily oxidable, amorphous glass forming molecules has been elaborated.

  DOI：

  10.1021/ol015875c

文献信息

• A Simple Route to <i>N-</i>Arylated 2-Aminothiophenes as a New Class of Amorphous Glass Forming Molecules
  作者：Horst Hartmann、Peter Gerstner、Dirk Rohde

  DOI：10.1021/ol015875c

  日期：2001.5.1

  [GRAPHICS]By thermal decarboxylation of N-arylated 2-aminothiophene-5-cacrboxylates, a versatile, heavy-metal free method for preparing the title compounds as new class of highly reactive and easily oxidable, amorphous glass forming molecules has been elaborated.