5,5-Dibutyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione | 412959-08-1

• 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: 5,5-Dibutyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione
• 英文别名: 5,5-dibutyl-6-imino-1,3-diazinane-2,4-dione
• CAS: 412959-08-1
• 化学式: C₁₂H₂₁N₃O₂
• 分子量: 239.318
• InChiKey: VJNMUHALCAIAMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  84.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,5-Dibutyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione 在 硫化氢 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 960.0h， 以67%的产率得到5,5-二丁基-6-硫代二氢嘧啶-2,4(1H,3H)-二酮
  参考文献：
  名称：

  Synthesis and biological activity of 4-aryl (and aralkyl)iminobarbituric acids

  摘要：

  DOI：

  10.1007/bf00758814
• 作为产物：
  描述：

  2-丁基-2-氰基己酸乙酯 、 尿素 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以32%的产率得到5,5-Dibutyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione
  参考文献：
  名称：

  Synthesis of variously 9,9-dialkylated octahydropyrimido [3,4-a]-s-triazines with potential antifungal activity

  摘要：

  9,9-Dialkyloctahydropyrimido[3,4-a]-s-triazines were synthesized by iminodimethylation reaction between a 5,5-dialkyl-6-aminopyrimidine-2,4(3H,5H)-dione, a substituted aniline and two moles of formaldehyde. The synthesis of 5,5-dialkyl-6-aminopyrimidinedione consisted of the condensation of urea with ethyl 2,2-dialkylcyanoacetates. 18 Octahydropyrimido[3,4-a]-s-triazines were synthesized and compounds resulting from a supplementary aminomethylation were also obtained. Most of these compounds were tested for antifungal activity in vitro. Only 9,9-dibutyl-6,8-dioxo-3(2-chlorophenyl)2,3,4,5,6,7,8,9-octahydropyrimido[3,4-a]s-triazine showed some activity against Microsporum canis. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01181-8

文献信息

• ZAKS, A. S.;GONCHARENKO, S. B.;VORONIN, V. G.;USACHEV, E. A.;PORTNOV, YU.+, XIM.-FARMATS. ZH., 1986, 20, N 4, 433-437
  作者：ZAKS, A. S.、GONCHARENKO, S. B.、VORONIN, V. G.、USACHEV, E. A.、PORTNOV, YU.+

  DOI：——

  日期：——
• Synthesis of variously 9,9-dialkylated octahydropyrimido [3,4-a]-s-triazines with potential antifungal activity
  作者：Amar Ghaib、Sabine Ménager、Philippe Vérité、Olivier Lafont

  DOI：10.1016/s0014-827x(01)01181-8

  日期：2002.2

  9,9-Dialkyloctahydropyrimido[3,4-a]-s-triazines were synthesized by iminodimethylation reaction between a 5,5-dialkyl-6-aminopyrimidine-2,4(3H,5H)-dione, a substituted aniline and two moles of formaldehyde. The synthesis of 5,5-dialkyl-6-aminopyrimidinedione consisted of the condensation of urea with ethyl 2,2-dialkylcyanoacetates. 18 Octahydropyrimido[3,4-a]-s-triazines were synthesized and compounds resulting from a supplementary aminomethylation were also obtained. Most of these compounds were tested for antifungal activity in vitro. Only 9,9-dibutyl-6,8-dioxo-3(2-chlorophenyl)2,3,4,5,6,7,8,9-octahydropyrimido[3,4-a]s-triazine showed some activity against Microsporum canis. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.
• Synthesis and biological activity of 4-aryl (and aralkyl)iminobarbituric acids
  作者：A. S. Zaks、S. B. Goncharenko、V. G. Voronin、E. A. Usachev、Yu. N. Portnov、Yu. M. Rabotnikov、L. E. Pchelintseva

  DOI：10.1007/bf00758814

  日期：1986.4