ethyl 4-(4-(5-chloro-2-methylthiophen-3-yl)furan-3-yl)-5-methylthiophene-2-carboxylate | 1562225-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: ethyl 4-(4-(5-chloro-2-methylthiophen-3-yl)furan-3-yl)-5-methylthiophene-2-carboxylate
• CAS: 1562225-00-6
• 化学式: C₁₇H₁₅ClO₃S₂
• 分子量: 366.889
• InChiKey: YMGONIIAADOLJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  39.44
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-乙基马来酰亚胺 、 ethyl 4-(4-(5-chloro-2-methylthiophen-3-yl)furan-3-yl)-5-methylthiophene-2-carboxylate 以 氘代氯仿 为溶剂， 反应 44.0h， 以83%的产率得到ethyl 4-((3aS,7aR)-6-(5-chloro-2-methylthiophen-3-yl)-2-ethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-5-yl)-5-methylthiophene-2-carboxylate
  参考文献：
  名称：

  Controlling a Polymer Adhesive Using Light and a Molecular Switch

  摘要：

  A thermally remendable polymer was synthesized by the Diels-Alder reaction between dithienylfuran and maleimide monomers to generate a photoresponsive diarylethene. UV light (312 nm) and visible light (>435 nm) "gate" the reversibility of the Diels Alder reaction and turn the self-healing properties of the polymer "off" and "on", respectively. After exposure to UV light, the strength of the polymer as an adhesive is enhanced. Visible light weakens the adhesive.

  DOI：

  10.1021/ja500496n
• 作为产物：
  描述：

  乙醇 、 4-(4-(5-chloro-2-methylthiophen-3-yl)furan-3-yl)-5-methylthiophene-2-carboxylic acid 在 硫酸 作用下， 反应 51.0h， 以97%的产率得到ethyl 4-(4-(5-chloro-2-methylthiophen-3-yl)furan-3-yl)-5-methylthiophene-2-carboxylate
  参考文献：
  名称：

  Controlling a Polymer Adhesive Using Light and a Molecular Switch

  摘要：

  A thermally remendable polymer was synthesized by the Diels-Alder reaction between dithienylfuran and maleimide monomers to generate a photoresponsive diarylethene. UV light (312 nm) and visible light (>435 nm) "gate" the reversibility of the Diels Alder reaction and turn the self-healing properties of the polymer "off" and "on", respectively. After exposure to UV light, the strength of the polymer as an adhesive is enhanced. Visible light weakens the adhesive.

  DOI：

  10.1021/ja500496n