1,3-bis(3-oxobutyl)uracil | 90577-17-6

• 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-bis(3-oxobutyl)uracil
• 英文别名: 1,3-Bis(3-oxobutyl)pyrimidine-2,4-dione
• CAS: 90577-17-6
• 化学式: C₁₂H₁₆N₂O₄
• 分子量: 252.27
• InChiKey: YUCGJLXVDIVUCO-UHFFFAOYSA-N

物化性质

• 沸点：
  412.1±55.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丁烯酮 、 尿嘧啶 在 poly(N-vinylimidazole) 作用下， 以 水 为溶剂， 反应 24.0h， 以90%的产率得到1,3-bis(3-oxobutyl)uracil
  参考文献：
  名称：

  Poly(N-vinylimidazole) as an efficient and recyclable catalyst of the aza-Michael reaction in water

  摘要：

  Poly(N-vinylimidazole) effectively catalyzed Michael addition of 1H-1,2,4-triazole, 3,5-dimethyl-1H-1,2,4-triazole, uracil, oxazolidin-2-one, and succinimide to but-3-en-2-one, cyclohex-2-en-1-one, methyl acrylate, and methyl vinyl sulfone in water at room temperature. The catalyst can readily be regenerated and repeatedly used at least five times without loss in activity, as shown in the reaction of 1H-1,2,4-triazole with but-3-en-2-one as an example.

  DOI：

  10.1134/s1070428010040019

文献信息

• Tributylphosphine, excellent organocatalyst for conjugate additions of non-nucleophilic N-containing compounds
  作者：Carolina Gimbert、Marcial Moreno-Mañas、Elisabet Pérez、Adelina Vallribera

  DOI：10.1016/j.tet.2007.05.088

  日期：2007.8

  Conjugate additions of non-nucleophilic N-containing compounds such as amides, thioamides, sulfonamides, and electron- poor anilines with different Michael acceptors can be promoted through the use of tributylphosphine. The range of useful pK(a)'s of nucleophiles has been established (pK(a)< 25) and new insights into the mechanism proposed. (c) 2007 Elsevier Ltd. All rights reserved.
• Singh, Paramjit; Deep, Kanval; Singh, Harjit, Journal of Chemical Research, Miniprint, 1984, # 3, p. 636 - 650
  作者：Singh, Paramjit、Deep, Kanval、Singh, Harjit

  DOI：——

  日期：——
• Peshakova, Lilia; Kalcheva, Veneta, Zeitschrift fur Chemie, 1990, vol. 30, # 12, p. 438 - 439
  作者：Peshakova, Lilia、Kalcheva, Veneta

  DOI：——

  日期：——
• SINGH, PARAMJIT;DEEP, KANWAL;SINGH, HARJIT, J. CHEM. RES. MICROFICHE, 1984, N 3, 71
  作者：SINGH, PARAMJIT、DEEP, KANWAL、SINGH, HARJIT

  DOI：——

  日期：——
• Poly(N-vinylimidazole) as an efficient and recyclable catalyst of the aza-Michael reaction in water
  作者：I. P. Beletskaya、E. A. Tarasenko、A. R. Khokhlov、V. S. Tyurin

  DOI：10.1134/s1070428010040019

  日期：2010.4

  Poly(N-vinylimidazole) effectively catalyzed Michael addition of 1H-1,2,4-triazole, 3,5-dimethyl-1H-1,2,4-triazole, uracil, oxazolidin-2-one, and succinimide to but-3-en-2-one, cyclohex-2-en-1-one, methyl acrylate, and methyl vinyl sulfone in water at room temperature. The catalyst can readily be regenerated and repeatedly used at least five times without loss in activity, as shown in the reaction of 1H-1,2,4-triazole with but-3-en-2-one as an example.