1-phenyl-3-methyl-4-butyldithiocarboxylate-5-pyrazolone | 128202-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-3-methyl-4-butyldithiocarboxylate-5-pyrazolone
• CAS: 128202-98-2
• 化学式: C₁₅H₁₈N₂OS₂
• 分子量: 306.453
• InChiKey: ZPNRWTVHXKDASD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.05
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-phenyl-3-methyl-4-butyldithiocarboxylate-5-pyrazolone 在 lithium chloride 作用下， 以 乙醇 、 水 为溶剂， 以92%的产率得到4-[butylsulfanyl-[[butylsulfanyl-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]disulfanyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
  参考文献：
  名称：

  Electrosynthesis of a Bis-Ketenedithioacetal Disulphide Derivative From 1-Phenyl-3-Methyl-4-Butyldithiocarboxylate-5-Pyrazolone Using a Glassy Carbon Electrode

  摘要：

  The electrooxidation of 1-phenyl-3-methyl-4-butyldithiocarboxylate- 5-pyrazolone 1 has been studied in ethanol/water solution, using a glassy carbon electrode surface. The electrochemical and spectroscopic data are in agreement with a bis-ketenedithioacetal disulphide compound 2 as the only product of the reaction.

  DOI：

  10.1080/00397910008087058
• 作为产物：
  描述：

  二硫化碳 、 依达拉奉 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-phenyl-3-methyl-4-butyldithiocarboxylate-5-pyrazolone
  参考文献：
  名称：

  Maurelia, Rene; Leon, Gerardo; Oliva, Alfonso, Synthetic Communications, 1990, vol. 20, # 3, p. 477 - 485

  摘要：

  DOI：

文献信息

• Phase-Transfer Catalyzed Condensation of 3-Methyl-5-pyrazolone with Carbon Disulfide and Alkyl Bromides
  作者：Alfonso Oliva、Isabel Castro、Christian Castillo、Gerardo León

  DOI：10.1055/s-1991-26500

  日期：——

  Reaction of 3-methyl-5-pyrazolones with carbon disulfide and alkyl bromides under phase-transfer catalysis to give alkyl 5-hydroxy-3-methyl-1H -pyrazole-4-carbodithioates is described. Using 1,2-dibromoethane or 1,3-dibromopropane, the corresponding cyclic ketene dithioacetals are formed.

  描述了在相转移催化下，3-甲基-5-吡唑酮与二硫化碳和溴化烷基发生反应，生成 5-羟基-3-甲基-1H-吡唑-4-二硫代酸烷基酯。使用 1,2-二溴乙烷或 1,3-二溴丙烷可生成相应的环烯酮二硫代乙酸酯。
• MAURELIA, RENE;LEON, GERARDO;OLIVA, ALFONSO, SYNTH. COMMUN., 20,(1990) N, C. 477-485
  作者：MAURELIA, RENE、LEON, GERARDO、OLIVA, ALFONSO

  DOI：——

  日期：——
• Electrosynthesis of a Bis-Ketenedithioacetal Disulphide Derivative From 1-Phenyl-3-Methyl-4-Butyldithiocarboxylate-5-Pyrazolone Using a Glassy Carbon Electrode
  作者：Alfonso Oliva、Aurora Molinari、Jean Angulo、Ricardo Schrebler、Humberto Gómez、Ricardo Córdova

  DOI：10.1080/00397910008087058

  日期：2000.12

  The electrooxidation of 1-phenyl-3-methyl-4-butyldithiocarboxylate- 5-pyrazolone 1 has been studied in ethanol/water solution, using a glassy carbon electrode surface. The electrochemical and spectroscopic data are in agreement with a bis-ketenedithioacetal disulphide compound 2 as the only product of the reaction.
• Maurelia, Rene; Leon, Gerardo; Oliva, Alfonso, Synthetic Communications, 1990, vol. 20, # 3, p. 477 - 485
  作者：Maurelia, Rene、Leon, Gerardo、Oliva, Alfonso

  DOI：——

  日期：——