2-[2-[[3-[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyliminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]ethyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one | 1426429-84-6

• 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-[2-[[3-[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyliminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]ethyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
• CAS: 1426429-84-6
• 化学式: C₆₉H₇₆N₈O₅
• 分子量: 1097.41
• InChiKey: KTFQMCYCONFWMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  82
• 可旋转键数：
  20
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  aluminum(III) nitrate nonahydrate 、 乙醇 、 2-[2-[[3-[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyliminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]ethyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one 以 水 为溶剂， 反应 0.08h， 生成
  参考文献：
  名称：

  Rhodamine-Based Fluorescent Probe for Al³⁺ through Time-Dependent PET–CHEF–FRET Processes and Its Cell Staining Application

  摘要：

  Rhodamine-diformyl p-cresol conjugate (L) has been developed as a novel Al3+-selective fluorometric and colorimetric sensor based on the FRET mechanism for the first time. L can selectively detect Al3+ through time-dependent PET-CHEF and FRET processes. This phenomenon is nicely reflected from H-1 NMR, fluorescence lifetime, and fluorescence cell imaging studies. The probe can detect Al3+ as low as 5 x 10(-9) M in HEPES-buffered EtOH:water (0.1 M, 4:1, v/v, pH 7.4). The probe shows pH-dependent emission properties viz. an intense red emission (585 nm) at acidic pH and an intense green fluorescence (535 nm) at basic pH. Thus, L can also be used as a pH sensor via tunable wavelength.

  DOI：

  10.1021/ic3019953
• 作为产物：
  描述：

  罗丹明B乙二胺 、 2,6-二甲酰-4-甲基苯酚 以 乙醇 为溶剂， 反应 24.0h， 以89%的产率得到2-[2-[[3-[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyliminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]ethyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
  参考文献：
  名称：

  Rhodamine-Based Fluorescent Probe for Al³⁺ through Time-Dependent PET–CHEF–FRET Processes and Its Cell Staining Application

  摘要：

  Rhodamine-diformyl p-cresol conjugate (L) has been developed as a novel Al3+-selective fluorometric and colorimetric sensor based on the FRET mechanism for the first time. L can selectively detect Al3+ through time-dependent PET-CHEF and FRET processes. This phenomenon is nicely reflected from H-1 NMR, fluorescence lifetime, and fluorescence cell imaging studies. The probe can detect Al3+ as low as 5 x 10(-9) M in HEPES-buffered EtOH:water (0.1 M, 4:1, v/v, pH 7.4). The probe shows pH-dependent emission properties viz. an intense red emission (585 nm) at acidic pH and an intense green fluorescence (535 nm) at basic pH. Thus, L can also be used as a pH sensor via tunable wavelength.

  DOI：

  10.1021/ic3019953