1,4-di(benzofuran-2-yl)-2-(methylthio)but-2-ene-1,4-dione | 1422525-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1,4-di(benzofuran-2-yl)-2-(methylthio)but-2-ene-1,4-dione
• CAS: 1422525-12-9
• 化学式: C₂₁H₁₄O₄S
• 分子量: 362.406
• InChiKey: JQFMMVGSLVPACW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  60.42
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,4-di(benzofuran-2-yl)-2-(methylthio)but-2-ene-1,4-dione 在 一水合肼 、 potassium hydroxide 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 以73%的产率得到3,6-di(benzofuran-2-yl)-4-(methylthio)pyridazine
  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：

  2-乙酰基苯并呋喃 、 二甲基亚砜 在 碘 、 copper(II) oxide 作用下， 生成 1,4-di(benzofuran-2-yl)-2-(methylthio)but-2-ene-1,4-dione
  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

文献信息

• A new route to construct 1,2-dihydroquinoxaline and 1,4-benzoxazine derivatives stereoselectively and its application to novel pyrazolo[1,5-α]quinoxaline oxides
  作者：Dongxue Zhang、Yan Yang、Meng Gao、Wenming Shu、Liuming Wu、Yanping Zhu、Anxin Wu

  DOI：10.1016/j.tet.2012.12.060

  日期：2013.2

  constructed stereoselectively from easily available aryl methyl ketones via a two-step procedure in mild conditions with high yields. Moreover, the application of this reaction provided a convenient approach to novel pyrazolo[1,5-α]quinoxaline oxides.

  从容易获得的芳基甲基酮经两步操作，在温和的条件下以高收率立体选择性地构建1,2-二氢喹喔啉和1,4-苯并恶嗪骨架。此外，该反应的应用为新型吡唑并[1，5-α]喹喔啉氧化物提供了一种方便的方法。