bis(5-formyl-4-butyl-3-methylpyrrol-2-yl)methane | 1037825-01-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: bis(5-formyl-4-butyl-3-methylpyrrol-2-yl)methane
• 英文别名: 5,5'-methylenedi(3-butyl-4-methyl-1H-pyrrole-2-carbaldehyde)；5,5'-Methylenedi(3-butyl-4-methyl-1h-pyrrole-2-carbaldehyde)；3-butyl-5-[(4-butyl-5-formyl-3-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole-2-carbaldehyde
• CAS: 1037825-01-6
• 化学式: C₂₁H₃₀N₂O₂
• 分子量: 342.481
• InChiKey: JHJYHIWIVKYISP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  65.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(5-formyl-4-butyl-3-methylpyrrol-2-yl)methane 、 1,11-bis[3-bis(4-butyl-3-methyl-1H-pyrrol-2-yl)methylphenoxy]-3,6,9-trioxaundecane 在 氢溴酸 、 四氯苯醌 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 2.0h， 以35%的产率得到1,11-bis[3-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin-5-yl)phenoxy]-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

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.