3-(1H-吡咯-1-基)异烟酸 | 153716-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-(1H-吡咯-1-基)异烟酸
• 中文别名: 3-(1H-吡咯-1-基)-4-吡啶羧酸
• 英文名称: 3-(1-pyrrolyl)-pyridine-4-carboxylic acid
• 英文别名: 3-pyrrol-1-ylpyridine-4-carboxylic Acid
• CAS: 153716-51-9
• 化学式: C₁₀H₈N₂O₂
• mdl: MFCD01108786
• 分子量: 188.186
• InChiKey: REIAJEVJCAYSBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(1H-吡咯-1-基)异烟酸 以66%的产率得到
  参考文献：
  名称：

  Bauer R., Heisler G., Koenigstein Ch., Spectrochim. acta. A, 50 (1994) N 1, S 57-67

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基异烟酸甲酯 在 氢氧化钾 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 1.08h， 生成 3-(1H-吡咯-1-基)异烟酸
  参考文献：
  名称：

  On the syntheses and photochemical properties of heterocyclic ketones as photosensitizers

  摘要：

  The syntheses, and the electrochemical and photochemical properties of the fluorenone analogues 9H-pyrrolo[1,2-a]indole-9-one (1), and 9H-pyrido[3,4,b] pyrrolizin-9-one (2), which absorb in the visible region (epsilon400 nm = 4711 mol-1 cm-1 for 1 and epsilon400 nm = 8721 mol cm-1 for 2), are described. 9-Fluorenone as well as compounds 1 and 2 were able to reduce methyl viologen in the presence of 2-propanol under irradiation with UV light (lambda > 280 nm). Compounds 1 and 2 showed an interesting absorption and fluorescence behavior depending on concentration, solvent and pH value. Aqueous solutions of compound 1 gave two fluorescence maxima at 395 and 478 nm, when excited by lambda(EX) = 302 and 368 nm, respectively. In contrast, aqueous solutions of compound 2 showed only one emission maximum at 417 nm (excited by lambda(EX) = 296 or 378 nm). Fluorescence quantum yields (solvent: propanol, excitation wavelength lambda(EX) = 436 nm) for compounds 1 and 2 were 0.2%. Compounds 1 and 2 showed irreversible reduction potentials at -850 and -560 mV (vs NHE), respectively. The results were compared with benzophenone and 9-fluorenone.

  DOI：

  10.1016/0584-8539(94)80115-0

文献信息

• On the syntheses and photochemical properties of heterocyclic ketones as photosensitizers
  作者：Rupert Bauer、Günter Heisler、Christian Königstein

  DOI：10.1016/0584-8539(94)80115-0

  日期：1994.1

  The syntheses, and the electrochemical and photochemical properties of the fluorenone analogues 9H-pyrrolo[1,2-a]indole-9-one (1), and 9H-pyrido[3,4,b] pyrrolizin-9-one (2), which absorb in the visible region (epsilon400 nm = 4711 mol-1 cm-1 for 1 and epsilon400 nm = 8721 mol cm-1 for 2), are described. 9-Fluorenone as well as compounds 1 and 2 were able to reduce methyl viologen in the presence of 2-propanol under irradiation with UV light (lambda > 280 nm). Compounds 1 and 2 showed an interesting absorption and fluorescence behavior depending on concentration, solvent and pH value. Aqueous solutions of compound 1 gave two fluorescence maxima at 395 and 478 nm, when excited by lambda(EX) = 302 and 368 nm, respectively. In contrast, aqueous solutions of compound 2 showed only one emission maximum at 417 nm (excited by lambda(EX) = 296 or 378 nm). Fluorescence quantum yields (solvent: propanol, excitation wavelength lambda(EX) = 436 nm) for compounds 1 and 2 were 0.2%. Compounds 1 and 2 showed irreversible reduction potentials at -850 and -560 mV (vs NHE), respectively. The results were compared with benzophenone and 9-fluorenone.
• Bauer R., Heisler G., Koenigstein Ch., Spectrochim. acta. A, 50 (1994) N 1, S 57-67
  作者：Bauer R., Heisler G., Koenigstein Ch.

  DOI：——

  日期：——