| 1450979-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1450979-35-7
• 化学式: C₃₅H₃₄N₄O₅
• 分子量: 590.679
• InChiKey: IIVFQKUYAUUDIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  44.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  112.49
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  CU2+铜离子探针Ⅱ(R6G) 、 3-甲酰基-2-羟基苯甲酸甲酯 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以86%的产率得到
  参考文献：
  名称：

  New rhodamine-based turn-on and colorimetric probe for copper(II) ion with high selectivity and sensitivity

  摘要：

  A new rhodamine-based derivative fluorescent probe (L) was synthesized as a highly selective and turn-on fluorescent probe for quantitative detection of Cu2+ exhibiting an almost 200-fold fluorescence increase. Moreover, the X-ray single crystal structure of the probe had also been measured. Besides, the fluorescent probe can also be considered as a good OFF-ON switch for Cu2+ with naked-eye colour change from colorless to pink. The 1:1 binding ratio between chemosensor L and Cu2+ was investigated using Job's plot method, H-1 NMR titration and ESI-MS. The probe exhibited excellent selectivity and sensitivity toward Cu2+ with little interference, meanwhile the detection limit of Cu2+ was at a quite lower micromolar level. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.04.020