dimethyl (5-(benzofuran-2-yl)-1,3,4-thiadiazol-2-yl)carbonimidodithioate | 960394-52-9

• 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: dimethyl (5-(benzofuran-2-yl)-1,3,4-thiadiazol-2-yl)carbonimidodithioate
• CAS: 960394-52-9
• 化学式: C₁₃H₁₁N₃OS₃
• 分子量: 321.448
• InChiKey: ZNZWEDJCDDFQSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  51.28
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  dimethyl (5-(benzofuran-2-yl)-1,3,4-thiadiazol-2-yl)carbonimidodithioate 、 1,3-丙二胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以67%的产率得到5-(1-benzofuran-2-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  A Novel Method for N3-Functionalized Aminoimidazolines and Aminopyrimidines by Aza-Michael Additions of Aminoimidazolines and Aminopyrimidines to α,β-Unsaturated Carbonyl Compounds

  摘要：

  An efficient and convenient procedure is described for the preparation of N3-functionalized aminoimidazolines and aminopyrimidines through the aza-Michael additions of aminoimidazolines and aminopyrimidines with alpha, beta-unsaturated carbonyl compounds catalyzed by KF/Al(2)O(3). This method offers a novel and efficient protocol for the N3-functionalized aminoimidazolines and aminopyrimidines with good regioselectivity and high purity under mild conditions.

  DOI：

  10.3987/com-07-11118
• 作为产物：
  描述：

  二硫化碳 、 2-amino-5-(benzofuran-2-yl)-1,3,4-thiadiazole 、 碘甲烷 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以79%的产率得到dimethyl (5-(benzofuran-2-yl)-1,3,4-thiadiazol-2-yl)carbonimidodithioate
  参考文献：
  名称：

  A Novel Method for N3-Functionalized Aminoimidazolines and Aminopyrimidines by Aza-Michael Additions of Aminoimidazolines and Aminopyrimidines to α,β-Unsaturated Carbonyl Compounds

  摘要：

  An efficient and convenient procedure is described for the preparation of N3-functionalized aminoimidazolines and aminopyrimidines through the aza-Michael additions of aminoimidazolines and aminopyrimidines with alpha, beta-unsaturated carbonyl compounds catalyzed by KF/Al(2)O(3). This method offers a novel and efficient protocol for the N3-functionalized aminoimidazolines and aminopyrimidines with good regioselectivity and high purity under mild conditions.

  DOI：

  10.3987/com-07-11118