(2,4,6-trioxohexahydropyrimidin-5-yl) N-(α-naphthyl)carbamimidothioate | 1488929-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2,4,6-trioxohexahydropyrimidin-5-yl) N-(α-naphthyl)carbamimidothioate
• 英文别名: (2,4,6-trioxo-1,3-diazinan-5-yl) N'-naphthalen-1-ylcarbamimidothioate
• CAS: 1488929-50-5
• 化学式: C₁₅H₁₂N₄O₃S
• 分子量: 328.351
• InChiKey: UNYAAILRJLJSDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  139
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-萘异硫氰酸酯 在 氨 作用下， 以 水 为溶剂， 反应 2.0h， 生成 (2,4,6-trioxohexahydropyrimidin-5-yl) N-(α-naphthyl)carbamimidothioate
  参考文献：
  名称：

  C-S Bond-Forming Reactions of Barbiturylbromide with Isothiocarbamides in Aqueous Media

  摘要：

  The C-S cross coupling of pharmaceutically active barbituric acid derivatives has been achieved by the interaction of selective monobromobarbituric acid with thioureas in an aqueous medium. This method is applicable for simple thiourea as well as monosubstituted thioureas, and corresponding products are obtained in good yield. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.804933

文献信息

• C-S Bond-Forming Reactions of Barbiturylbromide with Isothiocarbamides in Aqueous Media
  作者：Madhuri M. Sontakke、Atul A. Jichkar、Madhukar G. Dhonde、Chandrakant S. Bhaskar、Baliram N. Berad

  DOI：10.1080/00397911.2013.804933

  日期：2014.2

  The C-S cross coupling of pharmaceutically active barbituric acid derivatives has been achieved by the interaction of selective monobromobarbituric acid with thioureas in an aqueous medium. This method is applicable for simple thiourea as well as monosubstituted thioureas, and corresponding products are obtained in good yield. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]