4-methoxy-5,5'-bistrichloroacetyl-2,2'-bipyrrole | 1198363-86-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methoxy-5,5'-bistrichloroacetyl-2,2'-bipyrrole
• 英文别名: 2,2,2-trichloro-1-[5-[4-methoxy-5-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]ethanone
• CAS: 1198363-86-8
• 化学式: C₁₃H₈Cl₆N₂O₃
• 分子量: 452.936
• InChiKey: HVQKTCTYWJBWDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-methoxy-5,5'-bistrichloroacetyl-2,2'-bipyrrole 在 sodium methylate 、 盐酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 1.0h， 以90%的产率得到bismethyl 4-(methoxy)-2,2'-bipyrrole-5,5'-dicarboxylate
  参考文献：
  名称：

  Unsymmetric Electronic Push−Pull Bipyrroles − Synthesis, Spectroelectrochemical, and Photophysical Investigation

  摘要：

  The electrochromic and photophysical behaviors of unsymmetric bipyrroles were observed its intense color changes of the oxidized products relative to the neutral form. The color of the oxidized form and the oxidation potential were both tunable contingent on electronic group and substitution.

  DOI：

  10.1021/jo901965t
• 作为产物：
  描述：

  4-methoxy-2,2'-bipyrrole 、 三氯乙酰氯 以 乙醚 为溶剂， 反应 8.0h， 以60%的产率得到4-methoxy-5,5'-bistrichloroacetyl-2,2'-bipyrrole
  参考文献：
  名称：

  Unsymmetric Electronic Push−Pull Bipyrroles − Synthesis, Spectroelectrochemical, and Photophysical Investigation

  摘要：

  The electrochromic and photophysical behaviors of unsymmetric bipyrroles were observed its intense color changes of the oxidized products relative to the neutral form. The color of the oxidized form and the oxidation potential were both tunable contingent on electronic group and substitution.

  DOI：

  10.1021/jo901965t

文献信息

• Unsymmetric Electronic Push−Pull Bipyrroles − Synthesis, Spectroelectrochemical, and Photophysical Investigation
  作者：Tshitundu Tshibaka、Ivan Ulliel Roche、Stéphane Dufresne、William D. Lubell、W. G. Skene

  DOI：10.1021/jo901965t

  日期：2009.12.18

  The electrochromic and photophysical behaviors of unsymmetric bipyrroles were observed its intense color changes of the oxidized products relative to the neutral form. The color of the oxidized form and the oxidation potential were both tunable contingent on electronic group and substitution.