(Z)-3-[5-((E)-2-Carboxy-2-phenyl-vinyl)-thiophen-2-yl]-2-thiophen-2-yl-acrylic acid | 142371-33-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-3-[5-((E)-2-Carboxy-2-phenyl-vinyl)-thiophen-2-yl]-2-thiophen-2-yl-acrylic acid
• CAS: 142371-33-3
• 化学式: C₂₀H₁₄O₄S₂
• 分子量: 382.461
• InChiKey: XTTCGLRHOSTWDT-MAEUFBSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 (Z)-3-[5-((E)-2-Carboxy-2-phenyl-vinyl)-thiophen-2-yl]-2-thiophen-2-yl-acrylic acid 以67%的产率得到(Z)-3-[5-((E)-2-Methoxycarbonyl-2-phenyl-vinyl)-thiophen-2-yl]-2-thiophen-2-yl-acrylic acid methyl ester
  参考文献：
  名称：

  Mass spectrometry of some 2-styryl- and 2,5-distyrylfuran and -thiophene derivatives

  摘要：

  AbstractMass spectra of fourteen 2‐styryl‐ and 2,5‐distyrylfuran and ‐thiophene derivatives are reported. Each styryl substituent has an α‐carboxylic acid or methyl carboxylate substituent. Although the parent ion is the base peak for the styryl and distyryl derivatives, the distyryl species showed less fragmentation than the styryl species. In addition to simple bond cleavages, loss of formic acid or methyl formate was important in many of the species, presumably forming acetylenic fragments.

  DOI：

  10.1002/oms.1210270514
• 作为产物：
  描述：

  2-噻吩乙酸 在 三乙胺 作用下， 以 乙酸酐 为溶剂， 生成 (Z)-3-[5-((E)-2-Carboxy-2-phenyl-vinyl)-thiophen-2-yl]-2-thiophen-2-yl-acrylic acid
  参考文献：
  名称：

  Mass spectrometry of some 2-styryl- and 2,5-distyrylfuran and -thiophene derivatives

  摘要：

  AbstractMass spectra of fourteen 2‐styryl‐ and 2,5‐distyrylfuran and ‐thiophene derivatives are reported. Each styryl substituent has an α‐carboxylic acid or methyl carboxylate substituent. Although the parent ion is the base peak for the styryl and distyryl derivatives, the distyryl species showed less fragmentation than the styryl species. In addition to simple bond cleavages, loss of formic acid or methyl formate was important in many of the species, presumably forming acetylenic fragments.

  DOI：

  10.1002/oms.1210270514