2-propanoylpyridine 6'-chloro-4'-pyrimidinylhydrazone | 1449745-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-propanoylpyridine 6'-chloro-4'-pyrimidinylhydrazone
• CAS: 1449745-81-6
• 化学式: C₁₂H₁₂ClN₅
• 分子量: 261.714
• InChiKey: ORQVDNFAGAYXEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.06
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-丙酰基吡啶 、 4-氯-6-肼基嘧啶 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 96.0h， 生成 2-propanoylpyridine 6'-chloro-4'-pyrimidinylhydrazone
  参考文献：
  名称：

  Solubility and Transfer Processes of Some Hydrazones in Biologically Relevant Solvents

  摘要：

  Solubility values of 20 hydrazones in water, 1-octanol and hexane were determined by the isothermal saturation method. Thermophysical characteristics of fusion processes (melting points and fusion enthalpies) of the selected substances were measured by DSC method. The impact of structural modification of the molecules on solubility processes in the solvents was analyzed. Transfer processes from water to 1-octanol and from water to hexane were analyzed. Correlation equations connecting the transfer coefficients with physicochemical descriptors were obtained.

  DOI：

  10.1021/je400557z

文献信息

• Solubility and Transfer Processes of Some Hydrazones in Biologically Relevant Solvents
  作者：German L. Perlovich、Vladimir P. Kazachenko、Nadezda N. Strakhova、Klaus-J. Schaper、Oleg A. Raevsky

  DOI：10.1021/je400557z

  日期：2013.9.12

  Solubility values of 20 hydrazones in water, 1-octanol and hexane were determined by the isothermal saturation method. Thermophysical characteristics of fusion processes (melting points and fusion enthalpies) of the selected substances were measured by DSC method. The impact of structural modification of the molecules on solubility processes in the solvents was analyzed. Transfer processes from water to 1-octanol and from water to hexane were analyzed. Correlation equations connecting the transfer coefficients with physicochemical descriptors were obtained.