3-hydroxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione | 219600-18-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: 3-hydroxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione
• 英文别名: 3-(Hydroxymethyl)-1,3,4,5-tetrahydropyrimido[1,6-c][1,3]oxazepine-7,9-dione
• CAS: 219600-18-7
• 化学式: C₉H₁₂N₂O₄
• 分子量: 212.205
• InChiKey: LSDHLBVTYOVIQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-hydroxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione 在 N-氯代丁二酰亚胺 作用下， 以 溶剂黄146 为溶剂， 反应 4.5h， 以91%的产率得到3-hydroxymethyl-6-chloro-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione
  参考文献：
  名称：

  Synthesis and Antiviral Evaluation of 3-Hydroxymethylpyrimido[1,6-c][1,3]oxazepine Derivatives

  摘要：

  A number of pyrimido[1,6-c][1,3]oxazepin derivatives, the anti glycosidic constrained acyclic analogs of uridine and cytidine have been prepared. Compounds synthesized were evaluated for activity against herpes simplex virus type 1 (HSV-1) and human cytomegalovirus (HCMV). All of these compounds were inactive.

  DOI：

  10.3987/com-98-8280
• 作为产物：
  描述：

  6-(4-benzyloxy-3-hydroxybutyl)-2,4-dimethoxypyrimidine 在 sodium hydroxide 、 碘 、 乙酸酐 、 三氯化硼 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 153.0h， 生成 3-hydroxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione
  参考文献：
  名称：

  Synthesis and Antiviral Evaluation of 3-Hydroxymethylpyrimido[1,6-c][1,3]oxazepine Derivatives

  摘要：

  A number of pyrimido[1,6-c][1,3]oxazepin derivatives, the anti glycosidic constrained acyclic analogs of uridine and cytidine have been prepared. Compounds synthesized were evaluated for activity against herpes simplex virus type 1 (HSV-1) and human cytomegalovirus (HCMV). All of these compounds were inactive.

  DOI：

  10.3987/com-98-8280

文献信息

• Synthesis and Antiviral Evaluation of 3-Hydroxymethylpyrimido[1,6-c][1,3]oxazepine Derivatives
  作者：Ling-Yih Hsu、Ya-Fun Kang、John C. Drach

  DOI：10.3987/com-98-8280

  日期：——

  A number of pyrimido[1,6-c][1,3]oxazepin derivatives, the anti glycosidic constrained acyclic analogs of uridine and cytidine have been prepared. Compounds synthesized were evaluated for activity against herpes simplex virus type 1 (HSV-1) and human cytomegalovirus (HCMV). All of these compounds were inactive.