ethyl 2-[N-(2-ethoxy-2-oxoethyl)-4-[[2-[4,7,10-tris[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]anilino]acetate | 1254479-12-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-[N-(2-ethoxy-2-oxoethyl)-4-[[2-[4,7,10-tris[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]anilino]acetate
• CAS: 1254479-12-3
• 化学式: C₃₆H₆₁N₉O₈
• 分子量: 747.936
• InChiKey: GSGDTUMAFZSYIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  53
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  159
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  ethyl 2-[N-(2-ethoxy-2-oxoethyl)-4-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]anilino]acetate 、 2-氯-N,N-二甲基乙酰胺 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 120.0h， 以63%的产率得到ethyl 2-[N-(2-ethoxy-2-oxoethyl)-4-[[2-[4,7,10-tris[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]anilino]acetate
  参考文献：
  名称：

  Lanthanide luminescence sensing of copper and mercury ions using an iminodiacetate-based Tb(III)-cyclen chemosensor

  摘要：

  The design, synthesis and photophysical evaluation of 1.Tb.Na, a Tb(III)-cyclen-based sensor, possessing a phenyl iminodiacetate-based receptor, for the selective detection of Cu(II) and Hg(II) ions in water is demonstrated. Sensitisation of the Tb(III) D-5(4) excited state was achieved by excitation of the phenyl receptor, which in water gave rise to a characteristic time-delayed and line-like Tb(III) emission. The Tb(III) emission was shown to be pH independent over the physiological pH window. The changes in the Tb(III) emission were monitored by carrying out metal titrations using various groups I, II and transition metal ions. Of these, only the titrations of Cu(II) and Hg(II) gave rise to modulations in the Th(III) emission; resulting in quenching in the Tb(III) emission by ca. 65% and 40%, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.174

文献信息

• Lanthanide luminescence sensing of copper and mercury ions using an iminodiacetate-based Tb(III)-cyclen chemosensor
  作者：Brian K. McMahon、Thorfinnur Gunnlaugsson

  DOI：10.1016/j.tetlet.2010.07.174

  日期：2010.10

  The design, synthesis and photophysical evaluation of 1.Tb.Na, a Tb(III)-cyclen-based sensor, possessing a phenyl iminodiacetate-based receptor, for the selective detection of Cu(II) and Hg(II) ions in water is demonstrated. Sensitisation of the Tb(III) D-5(4) excited state was achieved by excitation of the phenyl receptor, which in water gave rise to a characteristic time-delayed and line-like Tb(III) emission. The Tb(III) emission was shown to be pH independent over the physiological pH window. The changes in the Tb(III) emission were monitored by carrying out metal titrations using various groups I, II and transition metal ions. Of these, only the titrations of Cu(II) and Hg(II) gave rise to modulations in the Th(III) emission; resulting in quenching in the Tb(III) emission by ca. 65% and 40%, respectively. (C) 2010 Elsevier Ltd. All rights reserved.