2,5-diamino-6-(3,4-epoxybutyl)uracil | 1204824-45-2

• 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: 2,5-diamino-6-(3,4-epoxybutyl)uracil
• 英文别名: 2,5-diamino-4-[2-(oxiran-2-yl)ethyl]-1H-pyrimidin-6-one
• CAS: 1204824-45-2
• 化学式: C₈H₁₂N₄O₂
• 分子量: 196.209
• InChiKey: WQALSORZMCMDRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-diamino-6-(3,4-epoxybutyl)uracil 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以37%的产率得到2-amino-4-hydroxy-6-hydroxymethyl-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine
  参考文献：
  名称：

  Synthesis of 2-amino-4-hydroxyl-6-hydroxymethyl-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine from 2-amino-4-hydroxyl-6-methylpyrimidine

  摘要：

  Abstract magnified image The synthesis of 2‐amino‐4‐hydroxyl‐6‐hydroxymethyl‐5,6,7,8‐tetrahydropyrido[3,2‐d]pyrimidine 3 is described from 2‐amino‐6‐methyluracil 4 through the crucial step of 2‐pivaloyl protecting and cyclization. The assignment of the structure of 3 was performed by its spectral data, the 1H NMR, 13C NMR, gHMQC, and HRMS spectra. J. Heterocyclic Chem., (2009).

  DOI：

  10.1002/jhet.197
• 作为产物：
  描述：

  2-pivaloylamino-5-nitro-6-(3,4-epoxybutyl)uracil 在 sodium dithionite 作用下， 以 乙醇 、 水 为溶剂， 反应 7.0h， 以45%的产率得到2,5-diamino-6-(3,4-epoxybutyl)uracil
  参考文献：
  名称：

  Synthesis of 2-amino-4-hydroxyl-6-hydroxymethyl-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine from 2-amino-4-hydroxyl-6-methylpyrimidine

  摘要：

  Abstract magnified image The synthesis of 2‐amino‐4‐hydroxyl‐6‐hydroxymethyl‐5,6,7,8‐tetrahydropyrido[3,2‐d]pyrimidine 3 is described from 2‐amino‐6‐methyluracil 4 through the crucial step of 2‐pivaloyl protecting and cyclization. The assignment of the structure of 3 was performed by its spectral data, the 1H NMR, 13C NMR, gHMQC, and HRMS spectra. J. Heterocyclic Chem., (2009).

  DOI：

  10.1002/jhet.197

文献信息

• Synthesis of 2-amino-4-hydroxyl-6-hydroxymethyl-5,6,7,8-tetrahydropyrido[3,2-<i>d</i>]pyrimidine from 2-amino-4-hydroxyl-6-methylpyrimidine
  作者：Zhili Zhang、Jie Liu、Weidong Liu、Xiaowei Wang、Zhijian Cheng、Junyi Liu

  DOI：10.1002/jhet.197

  日期：2009.11

  Abstract magnified image The synthesis of 2‐amino‐4‐hydroxyl‐6‐hydroxymethyl‐5,6,7,8‐tetrahydropyrido[3,2‐d]pyrimidine 3 is described from 2‐amino‐6‐methyluracil 4 through the crucial step of 2‐pivaloyl protecting and cyclization. The assignment of the structure of 3 was performed by its spectral data, the 1H NMR, 13C NMR, gHMQC, and HRMS spectra. J. Heterocyclic Chem., (2009).