(1R,6R,7S,11R,12R,17R,18S,22R)-9,9,20,20-tetramethyl-3,14-bis(pyren-1-ylmethyl)-8,10,19,21,23,24-hexaoxa-3,14-diazapentacyclo[15.5.1.16,12.07,11.018,22]tetracosane | 1309145-45-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (1R,6R,7S,11R,12R,17R,18S,22R)-9,9,20,20-tetramethyl-3,14-bis(pyren-1-ylmethyl)-8,10,19,21,23,24-hexaoxa-3,14-diazapentacyclo[15.5.1.16,12.07,11.018,22]tetracosane
• CAS: 1309145-45-6
• 化学式: C₅₄H₅₄N₂O₆
• 分子量: 827.033
• InChiKey: CBZRKMZEGJINJM-IJNDZMOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  62
• 可旋转键数：
  4
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  sugar-aza-crown ether 、 1-氯甲基芘 在 四丁基碘化铵 、 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 以0.26 g的产率得到(1R,6R,7S,11R,12R,17R,18S,22R)-9,9,20,20-tetramethyl-3,14-bis(pyren-1-ylmethyl)-8,10,19,21,23,24-hexaoxa-3,14-diazapentacyclo[15.5.1.16,12.07,11.018,22]tetracosane
  参考文献：
  名称：

  A sugar-aza-crown ether-based fluorescent sensor for Cu2+ and Hg2+ ions

  摘要：

  A sugar-aza-crown ether (SAC)-based fluorescent sensor 4 was prepared. It contains a pyrene as the fluorophore and its fluoroionophoric properties toward transition metal ions were investigated. Chemosensor 4 exhibits highly selective recognition toward Cu2+ and Hg2+ ions among a series of tested metal ions in methanol solution. The association constants for 4*Cu2+ and 4*Hg2+ in methanol solution were calculated to be 7.4 x 10(1) M-1 and 4.4 x 10(3) M-1, respectively. Chemosensor 4 formed complexes with the Cu2+ or Hg2+ ion at a 1:1 ligand-to-metal ratio with a detection limit of 1.3 x 10(-4) M Cu2+ and 1.26 x 10(-5) M Hg2+, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.03.010

文献信息

• A sugar-aza-crown ether-based fluorescent sensor for Cu2+ and Hg2+ ions
  作者：Yu-Chi Hsieh、Jiun-Ly Chir、Shih-Tse Yang、Shau-Jiun Chen、Ching-Han Hu、An-Tai Wu

  DOI：10.1016/j.carres.2011.03.010

  日期：2011.5

  A sugar-aza-crown ether (SAC)-based fluorescent sensor 4 was prepared. It contains a pyrene as the fluorophore and its fluoroionophoric properties toward transition metal ions were investigated. Chemosensor 4 exhibits highly selective recognition toward Cu2+ and Hg2+ ions among a series of tested metal ions in methanol solution. The association constants for 4*Cu2+ and 4*Hg2+ in methanol solution were calculated to be 7.4 x 10(1) M-1 and 4.4 x 10(3) M-1, respectively. Chemosensor 4 formed complexes with the Cu2+ or Hg2+ ion at a 1:1 ligand-to-metal ratio with a detection limit of 1.3 x 10(-4) M Cu2+ and 1.26 x 10(-5) M Hg2+, respectively. (C) 2011 Elsevier Ltd. All rights reserved.