2-sulfanylmethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one | 736948-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 2-sulfanylmethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
• 英文别名: 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one；5,6-dimethyl-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
• CAS: 736948-79-1
• 化学式: C₉H₁₀N₂OS₂
• mdl: MFCD04638749
• 分子量: 226.323
• InChiKey: ZMMAWPLHYLKABI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-sulfanylmethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one 、 1-chloro-1-phenyl-2,2,2-trifluoroethyl isocyanate 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 18.5h， 生成 5,6-dimethyl-2-[2-(4-methylphenyl)-4-oxo-2-trifluoromethyl-1,3-thiazolidin-5-yl]thieno[2,3-d]pyrimidin-4(3H)-one 、 5,6-dimethyl-2-(4-oxo-2-phenyl-2-trifluoromethyl-1,3-thiazolidin-5-yl)thieno[2,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  Heterocyclization of functionalized heterocumulenes with C,N-, C,O, and C,S-binucleophiles: IX. Reaction of 1-aryl-1-chloro-2,2,2-trifluoroethyl isocyanates with sulfanylacetic acid esters as a convenient synthetic route to 2-aryl-2-trifluoromethyl-4-oxo-1,3-thiazolidine-5-carboxylates

  摘要：

  1-Aryl-1-chloro-2,2,2-trifluoroethyl isocyanates reacted with methyl and ethyl sulfanylacetates to give the corresponding alkyl 2-aryl-2-trifluoromethyl-4-oxo-1,3-thiazolidine-5-carboxylates.

  DOI：

  10.1134/s107042800812021x

文献信息

• Heterocyclization of functionalized heterocumulenes with C,N-, C,O, and C,S-binucleophiles: IX. Reaction of 1-aryl-1-chloro-2,2,2-trifluoroethyl isocyanates with sulfanylacetic acid esters as a convenient synthetic route to 2-aryl-2-trifluoromethyl-4-oxo-1,3-thiazolidine-5-carboxylates
  作者：M. V. Vovk、P. S. Lebed’、V. V. Polovinko、O. V. Manoilenko

  DOI：10.1134/s107042800812021x

  日期：2008.12

  1-Aryl-1-chloro-2,2,2-trifluoroethyl isocyanates reacted with methyl and ethyl sulfanylacetates to give the corresponding alkyl 2-aryl-2-trifluoromethyl-4-oxo-1,3-thiazolidine-5-carboxylates.