6-methyl-5-(morpholin-4-ylmethyl)-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione | 1608127-05-4

• 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: 6-methyl-5-(morpholin-4-ylmethyl)-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione
• 英文别名: 6-Methyl-5-(morpholin-4-ylmethyl)-1-(thietan-3-yl)pyrimidine-2,4(1h,3h)-dione；6-methyl-5-(morpholin-4-ylmethyl)-1-(thietan-3-yl)pyrimidine-2,4-dione
• CAS: 1608127-05-4
• 化学式: C₁₃H₁₉N₃O₃S
• 分子量: 297.378
• InChiKey: UMHPHFNFMPKFRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吗啉 、 聚合甲醛 、 6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以65%的产率得到6-methyl-5-(morpholin-4-ylmethyl)-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Aminomethylation of 6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione

  摘要：

  Mannich reactions of 6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione with formaldehyde and morpholine, piperidine, N-methylpiperazine, and diethylamine gave the corresponding 5-aminomethylsubstituted pyrimidine derivatives. The title compound reacted with excess piperazine to form 3,5-bis-(piperazin-1-yl) derivative, while its reaction with an equimolar amount of piperazine afforded 5,5'-(piperazin-1,4-diylbismethylene)bis[6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione].

  DOI：

  10.1134/s1070428014030208

文献信息

• Aminomethylation of 6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione
  作者：S. A. Meshcheryakova、V. A. Kataev、D. A. Munasipova

  DOI：10.1134/s1070428014030208

  日期：2014.3

  Mannich reactions of 6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione with formaldehyde and morpholine, piperidine, N-methylpiperazine, and diethylamine gave the corresponding 5-aminomethylsubstituted pyrimidine derivatives. The title compound reacted with excess piperazine to form 3,5-bis-(piperazin-1-yl) derivative, while its reaction with an equimolar amount of piperazine afforded 5,5'-(piperazin-1,4-diylbismethylene)bis[6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-dione].