2-[3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[1H-isoindole-1,9'-[9H]xanthen]-2-((2-aminoethyl)methyl)]phenol | 1160497-75-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-[3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[1H-isoindole-1,9'-[9H]xanthen]-2-((2-aminoethyl)methyl)]phenol
• CAS: 1160497-75-5
• 化学式: C₃₅H₃₈N₄O₃
• 分子量: 562.712
• InChiKey: AGXSIPDKPNBCLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.52
• 重原子数：
  42.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  85.86
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-[3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[1H-isoindole-1,9'-[9H]xanthen]-2-((2-aminoethyl)methyl)]phenol 、 三氯化铁 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  X-ray crystallographic and photophysical properties of rhodamine-based chemosensor for Fe3+

  摘要：

  A fluorescent sensor for Fe3+, 2-[3'.6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[1H-isoindole-1,9'-[9H] xanthen]-2-((2-aminoethyl)methyl)]phenol, has been synthesized and characterized by H-1 NMR, C-13 NMR and X-ray crystallography. The photophysical processes of the Fe3+-sensor have been carefully investigated by fluorescence and absorbance spectra. Upon addition of Fe3+, the sensor shows strong fluorescence change with absorbance and emission peaks at 530 and 554 nm, respectively. Other metal ions have no such response. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.02.045
• 作为产物：
  描述：

  3',6'-Bis(ethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]-2',7'-dimethylspiro[isoindole-3,9'-xanthene]-1-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以317 mg的产率得到2-[3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[1H-isoindole-1,9'-[9H]xanthen]-2-((2-aminoethyl)methyl)]phenol
  参考文献：
  名称：

  X-ray crystallographic and photophysical properties of rhodamine-based chemosensor for Fe3+

  摘要：

  A fluorescent sensor for Fe3+, 2-[3'.6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[1H-isoindole-1,9'-[9H] xanthen]-2-((2-aminoethyl)methyl)]phenol, has been synthesized and characterized by H-1 NMR, C-13 NMR and X-ray crystallography. The photophysical processes of the Fe3+-sensor have been carefully investigated by fluorescence and absorbance spectra. Upon addition of Fe3+, the sensor shows strong fluorescence change with absorbance and emission peaks at 530 and 554 nm, respectively. Other metal ions have no such response. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.02.045