2-((2-(6-氯吡啶-2-基)亚肼基)甲基)苯酚 | 909394-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-((2-(6-氯吡啶-2-基)亚肼基)甲基)苯酚
• 英文名称: 2-((2-(6-chloropyridin-2-yl)hydrazono)methyl)phenol
• CAS: 909394-42-9
• 化学式: C₁₂H₁₀ClN₃O
• 分子量: 247.684
• InChiKey: GYOQKOFVMUIZTE-UHFFFAOYSA-N

物化性质

• 沸点：
  421.4±45.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.51
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-((2-(6-氯吡啶-2-基)亚肼基)甲基)苯酚 以 乙醇 、 水 为溶剂， 生成 2-氨基-6-氯吡啶 、 (氨基甲基)-苯酚
  参考文献：
  名称：

  乙酸酐-水溶液缓冲溶液中某些Hy及其金属配合物的伏安，电位和分光光度研究

  摘要：

  使用直流极谱法，电势库仑法和循环伏安法研究了汞电极上含有35％乙醇的 pH为 2-11的 Britton-Robinson通用缓冲液中 6-氯-2-肼基 吡啶衍生的某些的电化学行为 技术。在单一的4电子扩散控制的不可逆步骤中，所测在 pH <9的溶液中被还原， 这对应于–分子的–N = C <双键的饱和和–HN–NH–单键的裂解 通过 每个中心消耗两个电子。而起始化合物6-氯-2-肼基吡啶在相应的-NH-NH 2单键裂解的单个2-电子扩散控制的不可逆步骤中被还原。阐明并讨论了所研究化合物的电极反应机理。分光光度法测定了所测的 pK a 值及其在溶液中与某些过渡金属离子的配合物的化学计量。电位滴定法确定了所研究的的解离常数和热力学参数，以及它们在溶液中的金属配合物的稳定性常数。

  DOI：

  10.1007/s00706-005-0447-z
• 作为产物：
  描述：

  2,6-二氯吡啶 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 2-((2-(6-氯吡啶-2-基)亚肼基)甲基)苯酚
  参考文献：
  名称：

  UV–vis, IR and 1H NMR spectroscopic studies of some 6-chloro,2-pyridyl hydrazones

  摘要：

  The electronic absorption spectra of some 6-chloro,2-pyridyl hydrazones are studied in seven organic solvents of different polarity. The absorption bands are assigned to the corresponding electronic transitions and the effect of solvent parameters on the charge transfer energy (E-CT) is investigated. The spectra in buffer solutions of varied pH are also studied and utilized for the determination of the acid dissociation constants of the compounds under study. The fluorescence spectra were recorded for one of the studied compounds in six solvents, the solvent effect on the photoquantum yield and spectral pattern are also studied. Bands of diagnostic importance in the IR spectra and signals in the H-1 NMR spectra are assigned. The results of the present investigation are supported by some MO calculations using the atom super position and electron delocalization molecular orbital theory (ASED-MO) and Gaussian 94 program. The geometry is optimized using the PM3 method. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2005.10.032

文献信息

• UV–vis, IR and 1H NMR spectroscopic studies of some 6-chloro,2-pyridyl hydrazones
  作者：Raafat M. Issa、Ahmed A. Hassanein、Ibrahim M. El-Mehasseb、Reham I. Abed. El-Wadoud

  DOI：10.1016/j.saa.2005.10.032

  日期：2006.9

  The electronic absorption spectra of some 6-chloro,2-pyridyl hydrazones are studied in seven organic solvents of different polarity. The absorption bands are assigned to the corresponding electronic transitions and the effect of solvent parameters on the charge transfer energy (E-CT) is investigated. The spectra in buffer solutions of varied pH are also studied and utilized for the determination of the acid dissociation constants of the compounds under study. The fluorescence spectra were recorded for one of the studied compounds in six solvents, the solvent effect on the photoquantum yield and spectral pattern are also studied. Bands of diagnostic importance in the IR spectra and signals in the H-1 NMR spectra are assigned. The results of the present investigation are supported by some MO calculations using the atom super position and electron delocalization molecular orbital theory (ASED-MO) and Gaussian 94 program. The geometry is optimized using the PM3 method. (c) 2005 Elsevier B.V. All rights reserved.
• Voltammetric, Potentiometric and Spectrophotometric Studies of Some Hydrazones and Their Metal Complexes in Ethanolic-Aqueous Buffered Solutions
  作者：Mohammed M. Ghoneim、Ibrahim S. El-Hallag、Kamal Y. El-Baradie、Hanaa S. El-Desoky、Mona A. El-Attar

  DOI：10.1007/s00706-005-0447-z

  日期：2006.3

  discussed. The pK a values of the examined hydrazones and the stoichiometry of their complexes in solution with some transition metal ions were determined spectrophotometrically. The dissociation constants and the thermodynamic parameters of the investigated hydrazones, and the stability constants of their metal complexes in solution were determined potentiometrically.

  使用直流极谱法，电势库仑法和循环伏安法研究了汞电极上含有35％乙醇的 pH为 2-11的 Britton-Robinson通用缓冲液中 6-氯-2-肼基 吡啶衍生的某些的电化学行为 技术。在单一的4电子扩散控制的不可逆步骤中，所测在 pH <9的溶液中被还原， 这对应于–分子的–N = C <双键的饱和和–HN–NH–单键的裂解 通过 每个中心消耗两个电子。而起始化合物6-氯-2-肼基吡啶在相应的-NH-NH 2单键裂解的单个2-电子扩散控制的不可逆步骤中被还原。阐明并讨论了所研究化合物的电极反应机理。分光光度法测定了所测的 pK a 值及其在溶液中与某些过渡金属离子的配合物的化学计量。电位滴定法确定了所研究的的解离常数和热力学参数，以及它们在溶液中的金属配合物的稳定性常数。