1,5-bis-(2-amino-5-ethylphenoxy)-3-oxapentane | 942041-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,5-bis-(2-amino-5-ethylphenoxy)-3-oxapentane
• 英文别名: 2-[2-[2-(2-Amino-5-ethylphenoxy)ethoxy]ethoxy]-4-ethylaniline；2-[2-[2-(2-amino-5-ethylphenoxy)ethoxy]ethoxy]-4-ethylaniline
• CAS: 942041-11-4
• 化学式: C₂₀H₂₈N₂O₃
• 分子量: 344.454
• InChiKey: ORTNRBVRSISJFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  79.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  咪唑 、 1,5-bis-(2-amino-5-ethylphenoxy)-3-oxapentane 在 盐酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 15.0h， 以43%的产率得到
  参考文献：
  名称：

  Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties

  摘要：

  New azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheses were performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methyl-imidazole 8 has been solved. Metal cation binding was investigated with the use of UV-vis spectroscopy in acetonitrile, methanol, and methanol-water mixtures. The obtained chromoionophores were tested as ion-carriers in ion-selective membrane electrodes. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.095
• 作为产物：
  描述：

  3-乙基苯酚 在 palladium on activated charcoal 硝酸 、 potassium hydrogencarbonate 、 溶剂黄146 、 肼 作用下， 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1,5-bis-(2-amino-5-ethylphenoxy)-3-oxapentane
  参考文献：
  名称：

  Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties

  摘要：

  New azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheses were performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methyl-imidazole 8 has been solved. Metal cation binding was investigated with the use of UV-vis spectroscopy in acetonitrile, methanol, and methanol-water mixtures. The obtained chromoionophores were tested as ion-carriers in ion-selective membrane electrodes. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.095