Bis-<5-aethoxycarbonyl-2.4-dimethyl-pyrrol-3-yl>-<4-methoxy-phenyl>-methan | 104016-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Bis-<5-aethoxycarbonyl-2.4-dimethyl-pyrrol-3-yl>-<4-methoxy-phenyl>-methan
• 英文别名: bis(2,4-dimethyl-5-ethoxycarbonylpyrrol-3-yl)-(4'-methoxyphenyl)methane；3,5,3',5'-tetramethyl-1H,1'H-4,4'-(4-methoxy-phenylmethanediyl)-bis-pyrrole-2-carboxylic acid diethyl ester；Bis(2,4-dimethyl-5-ethoxycarbonylpyrrole-3-yl)(4'-methoxyphenyl)-methane；ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
• CAS: 104016-35-5
• 化学式: C₂₆H₃₂N₂O₅
• 分子量: 452.55
• InChiKey: AKFIRNKHJKMSPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  93.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Bis-<5-aethoxycarbonyl-2.4-dimethyl-pyrrol-3-yl>-<4-methoxy-phenyl>-methan 在 乙二醇 、 potassium hydroxide 作用下， 反应 1.0h， 以99%的产率得到bis(2,4-dimethylpyrrol-3-yl)(4'-methoxyphenyl)-methane
  参考文献：
  名称：

  Synthesis and spectral properties of 3,3′-bis(dipyrrolylmethene)

  摘要：

  Bis(2,4,7,8,9-pentamethyldipyrrolylmethene-3-yl)(4'-methoxyphenyl)methane dihydrobromide was synthesized and its spectral properties were studied. It was found that the basicity of the ligand 3,3'-bis-(dipyrrolylmethene) decreases upon insertion of the methoxyphenyl group in the 3,3'-spacer.

  DOI：

  10.1134/s1070363211110223
• 作为产物：
  描述：

  3,5-二甲基-1H-吡咯-2-甲酸乙酯 、 4-甲氧基苯甲醛 在 氢溴酸 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以98.7%的产率得到Bis-<5-aethoxycarbonyl-2.4-dimethyl-pyrrol-3-yl>-<4-methoxy-phenyl>-methan
  参考文献：
  名称：

  Synthesis and spectral properties of 3,3′-bis(dipyrrolylmethene)

  摘要：

  Bis(2,4,7,8,9-pentamethyldipyrrolylmethene-3-yl)(4'-methoxyphenyl)methane dihydrobromide was synthesized and its spectral properties were studied. It was found that the basicity of the ligand 3,3'-bis-(dipyrrolylmethene) decreases upon insertion of the methoxyphenyl group in the 3,3'-spacer.

  DOI：

  10.1134/s1070363211110223