diethyl 5,5-(3-hydroxyphenylmethylene)di(3-butyl-4-methyl-1H-pyrrole-2-carboxylate) | 1037824-95-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: diethyl 5,5-(3-hydroxyphenylmethylene)di(3-butyl-4-methyl-1H-pyrrole-2-carboxylate)
• 英文别名: meso-(3-hydroxyphenyl)-bis[5-ethoxycarbonyl-4-butyl-3-methylpyrrol-2-yl]methane；Diethyl 5,5'-(3-hydroxyphenylmethylene)di(3-butyl-4-methyl-1h-pyrrole-2-carboxylate)；ethyl 3-butyl-5-[(4-butyl-5-ethoxycarbonyl-3-methyl-1H-pyrrol-2-yl)-(3-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-2-carboxylate
• CAS: 1037824-95-5
• 化学式: C₃₁H₄₂N₂O₅
• 分子量: 522.685
• InChiKey: LGGAQTOHYFXJGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  38
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 5,5-(3-hydroxyphenylmethylene)di(3-butyl-4-methyl-1H-pyrrole-2-carboxylate) 、 四乙二醇二对甲苯磺酸酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 24.0h， 以65%的产率得到1,11-bis[3-bis(4-butyl-5-ethoxycarbonyl-3-methyl-1H-pyrrol-2-yl)methylphenoxy]-3,6,9-trioxaundecane
  参考文献：
  名称：

  Synthesis and properties of dimeric octaalkylporphyrins with a polyether linker

  摘要：

  Octaalkylporphyrin dimers with a polyether linker were synthesized, and their physicochemical properties were studied. Specific response of the tetrapyrrole chromophore to complexation with potassium cation at the polyether moiety was examined.

  DOI：

  10.1134/s1070428010030255
• 作为产物：
  描述：

  meso-(3-methoxyphenyl)-bis[5-ethoxycarbonyl-4-butyl-3-methylpyrrol-2-yl]methane 在 三溴化硼 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以96.9%的产率得到diethyl 5,5-(3-hydroxyphenylmethylene)di(3-butyl-4-methyl-1H-pyrrole-2-carboxylate)
  参考文献：
  名称：

  Porphyrin-based molecular receptors for alkali metal cations: synthesis and chemical modification

  摘要：

  A synthetic approach leading to the meso-arylporphyrins containing a conformationally mobile polyether fragment on the benzene ring with a terminal pyridine ring has been developed, which opens the possibility for design of new porphyrin-based molecular receptors for detection and selective binding of alkali metal cations. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.029

文献信息

• Porphyrin-based molecular receptors for alkali metal cations: synthesis and chemical modification
  作者：Nugzar Zh. Mamardashvili、Olga V. Maltseva、Yulia B. Ivanova、Galina M. Mamardashvili

  DOI：10.1016/j.tetlet.2008.04.029

  日期：2008.6

  A synthetic approach leading to the meso-arylporphyrins containing a conformationally mobile polyether fragment on the benzene ring with a terminal pyridine ring has been developed, which opens the possibility for design of new porphyrin-based molecular receptors for detection and selective binding of alkali metal cations. (C) 2008 Elsevier Ltd. All rights reserved.
• Synthesis and properties of dimeric octaalkylporphyrins with a polyether linker
  作者：O. V. Mal’tseva、Yu. I. Churakhina、N. Zh. Mamardashvili

  DOI：10.1134/s1070428010030255

  日期：2010.3

  Octaalkylporphyrin dimers with a polyether linker were synthesized, and their physicochemical properties were studied. Specific response of the tetrapyrrole chromophore to complexation with potassium cation at the polyether moiety was examined.