α',α'-bis(aza-18-crown-6)-p-xylene | 74776-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α',α'-bis(aza-18-crown-6)-p-xylene
• 英文别名: 16-[[4-(1,4,7,10,13-Pentaoxa-16-azacyclooctadec-16-ylmethyl)phenyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
• CAS: 74776-99-1
• 化学式: C₃₂H₅₆N₂O₁₀
• 分子量: 628.804
• InChiKey: JLHAFAACYJDFQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  98.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  氮杂-18-冠醚-6 、 1,4-二(溴甲基)苯 在 potassium carbonate 作用下， 以 various solvent(s) 为溶剂， 反应 4.0h， 以80%的产率得到α',α'-bis(aza-18-crown-6)-p-xylene
  参考文献：
  名称：

  Correlation of Solution and Gas Phase Complexation Assessed by Electrospray Ionization Mass Spectrometry:  Application to One-, Two-, and Three-Ring Macrocycles

  摘要：

  Electrospray ionization mass spectrometry (ESI-MS) was used to probe multiple cation complexation by C12H25(N18N)(CH2)(12)(N18N)(CH2)(12)(N18N)C12H25,2, and (18N)CH2C6H4CH2(N18), 3. Complexation of two cations (2Na(+), 2 K+, or Na+ and K+) by 3 and three cations by 2 (3 Na+, 3 K+, and mixtures) as well as mixed proton-metallic cation complexes of both were observed. The K+/Na+ cation-binding selectivity of 18-crown-6 was studied by ESI-MS of a methanol solution, and the selectivity profile was favorably compared with data obtained previously by ion-selective electrode techniques in the same solvent.

  DOI：

  10.1021/jo960023p

文献信息

• Johnson, Martin R.; Sutherland, Ian O.; Newton, Roger F., Journal of the Chemical Society. Perkin transactions I, 1980, p. 586 - 600
  作者：Johnson, Martin R.、Sutherland, Ian O.、Newton, Roger F.

  DOI：——

  日期：——