3-benzyloxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione | 219600-17-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-benzyloxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione
• 英文别名: 3-(Phenylmethoxymethyl)-1,3,4,5-tetrahydropyrimido[1,6-c][1,3]oxazepine-7,9-dione
• CAS: 219600-17-6
• 化学式: C₁₆H₁₈N₂O₄
• 分子量: 302.33
• InChiKey: OZSGUEWLWDALHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-benzyloxymethyl-1H,3H,4H,5H,8H-pyrimido<1,6-c><1,3>oxazepin-7,9-dione 在 正丁基锂 、 溴 作用下， 以 吡啶 、 水 为溶剂， 反应 2.52h， 生成 3-benzyloxymethyl-6-methyl-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 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 150.0h， 生成 3-benzyloxymethyl-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.