3-hydroxy-dihydro-pyrimidine-2,4-dione | 5461-53-0

• 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: 3-hydroxy-dihydro-pyrimidine-2,4-dione
• 英文别名: 3-Hydroxy-dihydro-pyrimidin-2,4-dion；hexahydro-3-hydroxy-1,3-diazine-2,4-dione；3-Hydroxydihydropyrimidine-2,4(1h,3h)-dione；3-hydroxy-1,3-diazinane-2,4-dione
• CAS: 5461-53-0
• 化学式: C₄H₆N₂O₃
• mdl: MFCD19218164
• 分子量: 130.103
• InChiKey: SQDGDHQDFSINPB-UHFFFAOYSA-N

物化性质

• 熔点：
  206 °C
• 密度：
  1.557±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

反应信息

• 作为产物：
  描述：

  3-Benzyloxy-5.6-dihydro-uracil 在 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以100%的产率得到3-hydroxy-dihydro-pyrimidine-2,4-dione
  参考文献：
  名称：

  Preparation of bifunctional isocyanate hydroxamate linkers: synthesis of carbamate and urea tethered polyhydroxamic acid chelators

  摘要：

  Two novel bifunctional N-methylhydroxamate-isocyanate linkers 20 and 21 were prepared in good yield and high purity from the corresponding amine salts using a biphasic reaction with phosgene. The facile ring opening reaction of N-Boc lactams using the anion of O-benzylhydroxylamine gave the protected amino hydroxamates 6a and 6c in good yields. The selective methylation of the hydroxamate nitrogen in the presence of the N-Boc group in these intermediates could be readily accomplished. The utility of the linkers was clearly demonstrated by the synthesis of the carbamate-tethered trishydroxamic acid 27 and the urea-tethered 29. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.025

文献信息

• Hurd; Buess; Bauer, Journal of Organic Chemistry, 1954, vol. 19, p. 1143
  作者：Hurd、Buess、Bauer

  DOI：——

  日期：——
• Preparation of bifunctional isocyanate hydroxamate linkers: synthesis of carbamate and urea tethered polyhydroxamic acid chelators
  作者：Rasika Fernando、Jonathan M. Shirley、Emilio Torres、Hollie K. Jacobs、Aravamudan S. Gopalan

  DOI：10.1016/j.tetlet.2012.09.025

  日期：2012.11

  Two novel bifunctional N-methylhydroxamate-isocyanate linkers 20 and 21 were prepared in good yield and high purity from the corresponding amine salts using a biphasic reaction with phosgene. The facile ring opening reaction of N-Boc lactams using the anion of O-benzylhydroxylamine gave the protected amino hydroxamates 6a and 6c in good yields. The selective methylation of the hydroxamate nitrogen in the presence of the N-Boc group in these intermediates could be readily accomplished. The utility of the linkers was clearly demonstrated by the synthesis of the carbamate-tethered trishydroxamic acid 27 and the urea-tethered 29. (C) 2012 Elsevier Ltd. All rights reserved.