(3-Aminonaphthalen-2-yl) 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylate | 1004519-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (3-Aminonaphthalen-2-yl) 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylate
• 英文别名: (3-aminonaphthalen-2-yl) 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylate
• CAS: 1004519-68-9
• 化学式: C₂₇H₃₁NO₈
• 分子量: 497.545
• InChiKey: RSEJSCQLPBTKQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (3-Aminonaphthalen-2-yl) 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylate 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Solid–liquid extraction of ω-amino acids using ditopic receptors

  摘要：

  Five heteroditopic ligands have been prepared to be used in solid-liquid extraction of omega-amino acids into DMSO solutions. The prepared ligands contain crown ethers as cation binding sites and thiourea or amide groups for anion recognition. The aliphatic zone of the (1)H NMR spectra suggests that two different species related to the amino acid are present in solution. One of these species is the complexed zwitterionic form and the other seems to be free non-zwitterionic amino acid. The presence of these two species allows extraction efficiencies higher than 100%. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.10.066
• 作为产物：
  描述：

  4'-羧基苯并-18-冠6-醚 、 3-氨基-2-萘酚 在 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以99%的产率得到(3-Aminonaphthalen-2-yl) 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylate
  参考文献：
  名称：

  Solid–liquid extraction of ω-amino acids using ditopic receptors

  摘要：

  Five heteroditopic ligands have been prepared to be used in solid-liquid extraction of omega-amino acids into DMSO solutions. The prepared ligands contain crown ethers as cation binding sites and thiourea or amide groups for anion recognition. The aliphatic zone of the (1)H NMR spectra suggests that two different species related to the amino acid are present in solution. One of these species is the complexed zwitterionic form and the other seems to be free non-zwitterionic amino acid. The presence of these two species allows extraction efficiencies higher than 100%. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.10.066

文献信息

• Solid–liquid extraction of ω-amino acids using ditopic receptors
  作者：Ana M. Costero、Gemma M. Rodríguez-Muñiz、Salvador Gil、Sergio Peransi、Pablo Gaviña

  DOI：10.1016/j.tet.2007.10.066

  日期：2008.1

  Five heteroditopic ligands have been prepared to be used in solid-liquid extraction of omega-amino acids into DMSO solutions. The prepared ligands contain crown ethers as cation binding sites and thiourea or amide groups for anion recognition. The aliphatic zone of the (1)H NMR spectra suggests that two different species related to the amino acid are present in solution. One of these species is the complexed zwitterionic form and the other seems to be free non-zwitterionic amino acid. The presence of these two species allows extraction efficiencies higher than 100%. (c) 2007 Elsevier Ltd. All rights reserved.