2-[(N-(1-naphthyl)-N-phenyl)amino]thiophene-5-carboxylic acid | 349533-50-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[(N-(1-naphthyl)-N-phenyl)amino]thiophene-5-carboxylic acid
• 英文别名: 5-(N-naphthalen-1-ylanilino)thiophene-2-carboxylic acid
• CAS: 349533-50-2
• 化学式: C₂₁H₁₅NO₂S
• 分子量: 345.422
• InChiKey: CXCCKLWMWYNLNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(N-(1-naphthyl)-N-phenyl)amino]thiophene-5-carboxylic acid 生成 N-(naphthalen-1-yl)-N-phenylthiophen-2-amine
  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-萘-1-基-N-苯基乙酰胺 在 氢氧化钾 、 三乙胺 、 三氯氧磷 作用下， 以 甲醇 、 水 为溶剂， 生成 2-[(N-(1-naphthyl)-N-phenyl)amino]thiophene-5-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

• On the Vilsmeier formylation of N-aryl-substituted 2-aminothiophenes - a simple route to new thieno[2,3-b]quinolinium salts
  作者：Horst Hartmann

  DOI：10.3998/ark.5550190.0013.325

  日期：——

  The Vilsmeier reaction of N-substituted 2-arylamino-thiophenes-5-carboxylic acid or their alkyl derivatives gives rise, depending on the substitution pattern at the thiophene moiety, to the formation of either N-substituted 2-arylamino-thiophene-5-carbaldehydes, corresponding imminium salt precursors, or novel thieno[2,3-b]quinolinium salts. These salts are highly reactive towards nucleophiles and

  N-取代的 2-芳基氨基-噻吩-5-羧酸或其烷基衍生物的 Vilsmeier 反应产生，取决于噻吩部分的取代模式，形成 N-取代的 2-芳基氨基-噻吩-5-甲醛、相应的亚胺盐前体或新型噻吩并 [2,3-b] 喹啉盐。这些盐对亲核试剂具有高度反应性，并且可以通过还原轻松转化为相应的 4,9-二氢衍生物。
• 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.