tetrabutylammonium pentachlorophenolate | 51339-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetrabutylammonium pentachlorophenolate
• 英文别名: Tetrabutylammonium-pentachlorphenolat；2,3,4,5,6-pentachlorophenolate;tetrabutylazanium
• CAS: 51339-13-0
• 化学式: C₆Cl₅O*C₁₆H₃₆N
• 分子量: 507.799
• InChiKey: FFQXJEJSYWSFDC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.03
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  五氯酚 、 tetrabutylammonium pentachlorophenolate 以 乙酸乙酯 为溶剂， 生成 tetrabutylammonium hydrogen dipentachlorophenolate
  参考文献：
  名称：

  FT-IR, UV—visible and X-ray studies of complexes of pyridine N-oxides with pentachlorophenol

  摘要：

  The crystal structure of the 4-methoxy-2,6-dimethylpyridine N-oxide pentachlorophenol complex has been determined by X-ray analysis. The O ... O distance is 2.439(6) Angstrom, the OHO angle is 152.3 degrees and the hydrogen-bonded proton is close to the phenol molecule. The FT-IR spectra of pentachlorophenol complexes with some substituted pyridine N-oxides in the solid state and seven aprotic solvents of different polarity (epsilon from 2.27 to 37.5) show a broad absorption. The broad absorption shows weak dependence upon solvent polarity and is classified as type (ii). UV spectra show that in the investigated complexes protons are not transferred from the phenol to the N-oxides. Formamide (epsilon = 111) is a much stronger proton acceptor than the pyridine N-oxides. Pentachlorophenol in formamide is converted to the phenolate ion.

  DOI：

  10.1016/0022-2860(95)08954-t
• 作为产物：
  描述：

  五氯酚 、 四丁基氢氧化铵 以 水 为溶剂， 生成 tetrabutylammonium pentachlorophenolate
  参考文献：
  名称：

  含双吡啶席夫碱配体的锰分子络合物电催化还原分子氧为过氧化氢

  摘要：

  报道了分子锰 (III) 配合物与四齿双阴离子联吡啶基配体的合成和电催化还原分子氧。电化学表征表明能斯脱依赖于将 Mn(III) 还原为 Mn(II) 的添加质子源。所得物质能够以 81 ± 4% 的法拉第效率将分子氧还原为 H2O2。机理研究表明，催化活性物质是通过添加的质子供体和母体 Mn 复合物的相互作用产生的，导致单电子还原后配位酚部分的质子化，产生具有空配位点的中性物质在金属中心。作为结果，

  DOI：

  10.1021/jacs.7b09027

文献信息

• US4313843A
  申请人：——

  公开号：US4313843A

  公开（公告）日：1982-02-02
• FT-IR, UV—visible and X-ray studies of complexes of pyridine N-oxides with pentachlorophenol
  作者：Zofia Dega-Szafran、Monika Grundwald-Wyspiańska、Anna Kania、Zofia Kosturkiewicz、Ewa Tykarska、Mirosław Szafran

  DOI：10.1016/0022-2860(95)08954-t

  日期：1995.11

  The crystal structure of the 4-methoxy-2,6-dimethylpyridine N-oxide pentachlorophenol complex has been determined by X-ray analysis. The O ... O distance is 2.439(6) Angstrom, the OHO angle is 152.3 degrees and the hydrogen-bonded proton is close to the phenol molecule. The FT-IR spectra of pentachlorophenol complexes with some substituted pyridine N-oxides in the solid state and seven aprotic solvents of different polarity (epsilon from 2.27 to 37.5) show a broad absorption. The broad absorption shows weak dependence upon solvent polarity and is classified as type (ii). UV spectra show that in the investigated complexes protons are not transferred from the phenol to the N-oxides. Formamide (epsilon = 111) is a much stronger proton acceptor than the pyridine N-oxides. Pentachlorophenol in formamide is converted to the phenolate ion.
• Electrocatalytic Reduction of Dioxygen to Hydrogen Peroxide by a Molecular Manganese Complex with a Bipyridine-Containing Schiff Base Ligand
  作者：Shelby L. Hooe、Arnold L. Rheingold、Charles W. Machan

  DOI：10.1021/jacs.7b09027

  日期：2018.3.7

  synthesis and electrocatalytic reduction of dioxygen by a molecular manganese(III) complex with a tetradentate dianionic bipyridine-based ligand is reported. Electrochemical characterization indicates a Nernstian dependence on the added proton source for the reduction of Mn(III) to Mn(II). The resultant species is competent for the reduction of dioxygen to H2O2 with 81 ± 4% Faradaic efficiency. Mechanistic

  报道了分子锰 (III) 配合物与四齿双阴离子联吡啶基配体的合成和电催化还原分子氧。电化学表征表明能斯脱依赖于将 Mn(III) 还原为 Mn(II) 的添加质子源。所得物质能够以 81 ± 4% 的法拉第效率将分子氧还原为 H2O2。机理研究表明，催化活性物质是通过添加的质子供体和母体 Mn 复合物的相互作用产生的，导致单电子还原后配位酚部分的质子化，产生具有空配位点的中性物质在金属中心。作为结果，