1,3-dimethyl-5-(2-oxo-2-(thiophen-2-yl)ethylidene)-pyrimidine-2,4,6-trione | 1063626-97-0

• 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: 1,3-dimethyl-5-(2-oxo-2-(thiophen-2-yl)ethylidene)-pyrimidine-2,4,6-trione
• CAS: 1063626-97-0
• 化学式: C₁₂H₁₀N₂O₄S
• 分子量: 278.288
• InChiKey: GVJXUHUBYMWWHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.76
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-5-(2-oxo-2-(thiophen-2-yl)ethylidene)-pyrimidine-2,4,6-trione 、 对甲苯基脲 以 甲醇 为溶剂， 以62%的产率得到8,10-dimethyl-1-(p-tolyl)-4-(thiophen-2-yl)-1,3,8,10-tetraazaspiro[5,5]-undec-4-ene-2,7,9,11-tetraone
  参考文献：
  名称：

  A rapid and facile synthesis of new spiropyrimidines from 5-(2-arylethylidene-2-oxo)-1,3-dimethylpyrimidine-2,4,6-triones

  摘要：

  A series of new tetraazaspiro[5,5]-undec-4-ene-2,7,9,11-tetraones have been obtained by reaction of 5-(2-arylethylidene-2-oxo)-1,3-dimethylpyrimidine-2,4,6-triones with ureas. A three-component one-pot procedure to the spiranes synthesis was also developed. One-pot reaction of arylglyoxals, 1,3-dimethylbarbituric acid, and diniethylurea led to imidazolyl-1,3-dimethylbarbituric acids. Mechanisms of studied reactions were discussed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.06.097
• 作为产物：
  描述：

  2-噻吩基乙二醛 、 1,3-二甲基巴比妥酸 在 溶剂黄146 作用下， 以76%的产率得到1,3-dimethyl-5-(2-oxo-2-(thiophen-2-yl)ethylidene)-pyrimidine-2,4,6-trione
  参考文献：
  名称：

  A rapid and facile synthesis of new spiropyrimidines from 5-(2-arylethylidene-2-oxo)-1,3-dimethylpyrimidine-2,4,6-triones

  摘要：

  A series of new tetraazaspiro[5,5]-undec-4-ene-2,7,9,11-tetraones have been obtained by reaction of 5-(2-arylethylidene-2-oxo)-1,3-dimethylpyrimidine-2,4,6-triones with ureas. A three-component one-pot procedure to the spiranes synthesis was also developed. One-pot reaction of arylglyoxals, 1,3-dimethylbarbituric acid, and diniethylurea led to imidazolyl-1,3-dimethylbarbituric acids. Mechanisms of studied reactions were discussed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.06.097

文献信息

• Investigations on 5-(2-aryl-2-oxo-ethylidene)-1,3-dimethylbarbituric and thiobarbituric acids: reactions with thioureas and thioacetamide
  作者：N. N. Kolos、L. L. Zamigaylo、V. I. Musatov

  DOI：10.1007/s10593-009-0365-9

  日期：2009.8

  Derivatives of 2-amino- and 2-methylthiazole have been synthesized by the reaction of 5-(2-aryl-2-oxoethylidene)-1,3-dimethylbarbituric and thiobarbituric acids with thioureas and thioacetamide, and also by a one-pot synthesis involving thiourea (or thioacetamide), arylglyoxals, 1,3-dimethyl-barbituric (or thiobarbituric) acids. The mechanisms of the studied reactions are discussed.