6-Chloro-7-[3-(methoxyamino)propyl]-9-methylpurin-8-one | 1026128-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-Chloro-7-[3-(methoxyamino)propyl]-9-methylpurin-8-one
• CAS: 1026128-59-5
• 化学式: C₁₀H₁₄ClN₅O₂
• 分子量: 271.706
• InChiKey: LFWINDIZRCWLBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-Chloro-7-[3-(methoxyamino)propyl]-9-methylpurin-8-one 在 三乙胺 作用下， 以 正丁醇 为溶剂， 生成 9-Methoxy-3-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
  参考文献：
  名称：

  Preparatory Study for the Synthesis of the Marine Sponge Alkaloids Asmarines A-F: Synthesis of Their Heterocyclic Portions

  摘要：

  A synthesis of three tricyclic compounds (l c), (2c), and (3c), selected as models for the heterocyclic portions of the marine sponge alkaloids asmarines A-F, has been accomplished through cyclization of the 7-alkyl-6-chloropurine derivatives.

  DOI：

  10.3987/com-02-9512
• 作为产物：
  描述：

  6-氯-9-甲基-7H-嘌呤-8(9H)-酮 在 四丁基碘化铵 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-Chloro-7-[3-(methoxyamino)propyl]-9-methylpurin-8-one
  参考文献：
  名称：

  Preparatory Study for the Synthesis of the Marine Sponge Alkaloids Asmarines A-F: Synthesis of Their Heterocyclic Portions

  摘要：

  A synthesis of three tricyclic compounds (l c), (2c), and (3c), selected as models for the heterocyclic portions of the marine sponge alkaloids asmarines A-F, has been accomplished through cyclization of the 7-alkyl-6-chloropurine derivatives.

  DOI：

  10.3987/com-02-9512

文献信息

• Preparatory Study for the Synthesis of the Marine Sponge Alkaloids Asmarines A-F: Synthesis of Their Heterocyclic Portions
  作者：Masashi Ohba、Takahiro Tashiro

  DOI：10.3987/com-02-9512

  日期：——

  A synthesis of three tricyclic compounds (l c), (2c), and (3c), selected as models for the heterocyclic portions of the marine sponge alkaloids asmarines A-F, has been accomplished through cyclization of the 7-alkyl-6-chloropurine derivatives.