4-(methylthio)-3,6-diphenylpyridazine | 1415146-74-5

• 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: 4-(methylthio)-3,6-diphenylpyridazine
• 英文别名: 4-Methylsulfanyl-3,6-diphenylpyridazine
• CAS: 1415146-74-5
• 化学式: C₁₇H₁₄N₂S
• 分子量: 278.378
• InChiKey: BNPICOVEIKUUJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(methylthio)-3,6-diphenylpyridazine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以75%的产率得到4-(methylsulfinyl)-3,6-diphenylpyridazine
  参考文献：
  名称：

  A Novel and Highly Regioselective Route to Construct Methylthio-Substituted Pyridazines from Aryl Methyl Ketones at Room Temperature

  摘要：

  A novel and highly regioselective two-step homocoupling/cyclization procedure from easily available aryl methyl ketones and hydrazine hydrate was developed for the synthesis of methylthio-substituted pyridazines at room temperature. The method has remarkable advantages owing to the simple substrates, mild reaction conditions, ease of manipulation, good yields and high regioselectivity.

  DOI：

  10.1055/s-0031-1290433
• 作为产物：
  描述：

  苯乙酮 在 碘 、 一水合肼 、 copper(II) oxide 、 potassium hydroxide 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 生成 4-(methylthio)-3,6-diphenylpyridazine
  参考文献：
  名称：

  A Novel and Highly Regioselective Route to Construct Methylthio-Substituted Pyridazines from Aryl Methyl Ketones at Room Temperature

  摘要：

  A novel and highly regioselective two-step homocoupling/cyclization procedure from easily available aryl methyl ketones and hydrazine hydrate was developed for the synthesis of methylthio-substituted pyridazines at room temperature. The method has remarkable advantages owing to the simple substrates, mild reaction conditions, ease of manipulation, good yields and high regioselectivity.

  DOI：

  10.1055/s-0031-1290433