6-amino-5-[(cyclopentylimino)methyl]-1,3-dimethyluracil | 1160872-11-6

• 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: 6-amino-5-[(cyclopentylimino)methyl]-1,3-dimethyluracil
• 英文别名: 6-Amino-5-(cyclopentyliminomethyl)-1,3-dimethylpyrimidine-2,4-dione；6-amino-5-(cyclopentyliminomethyl)-1,3-dimethylpyrimidine-2,4-dione
• CAS: 1160872-11-6
• 化学式: C₁₂H₁₈N₄O₂
• 分子量: 250.301
• InChiKey: BDFKSMKORKFODW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-amino-5-[(cyclopentylimino)methyl]-1,3-dimethyluracil 在 碘苯二乙酸 、 lithium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以72%的产率得到2-cyclopentyl-5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
  参考文献：
  名称：

  Iodobenzene Diacetate–Promoted N–N and N–O Bond Formation for Pyrazolo- and Isoxazolopyrimidine Syntheses

  摘要：

  Pyrazolo[3,4-d]pyrimidine-4,6-dione derivatives were efficiently synthesized via the intramolecular N-N bond coupling of 5-iminomethyl-6-aminouracil derivatives using iodobenzene diacetate. The oxidative coupling was also applied to the analogous N-O bond formation producing isoxazolo[3,4-d]primidine-4,6-dione derivatives.

  DOI：

  10.3987/com-08-s(d)34
• 作为产物：
  描述：

  5-[(dimethylamino)methylene]dihydro-6-imino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione monohydrochloride 、 环戊胺 在 lithium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以99%的产率得到6-amino-5-[(cyclopentylimino)methyl]-1,3-dimethyluracil
  参考文献：
  名称：

  Iodobenzene Diacetate–Promoted N–N and N–O Bond Formation for Pyrazolo- and Isoxazolopyrimidine Syntheses

  摘要：

  Pyrazolo[3,4-d]pyrimidine-4,6-dione derivatives were efficiently synthesized via the intramolecular N-N bond coupling of 5-iminomethyl-6-aminouracil derivatives using iodobenzene diacetate. The oxidative coupling was also applied to the analogous N-O bond formation producing isoxazolo[3,4-d]primidine-4,6-dione derivatives.

  DOI：

  10.3987/com-08-s(d)34

文献信息

• Iodobenzene Diacetate–Promoted N–N and N–O Bond Formation for Pyrazolo- and Isoxazolopyrimidine Syntheses
  作者：Hironao Sajiki、Yasunari Monguchi、Kazuyuki Hattori、Tomohiro Maegawa、Kosaku Hirota

  DOI：10.3987/com-08-s(d)34

  日期：——

  Pyrazolo[3,4-d]pyrimidine-4,6-dione derivatives were efficiently synthesized via the intramolecular N-N bond coupling of 5-iminomethyl-6-aminouracil derivatives using iodobenzene diacetate. The oxidative coupling was also applied to the analogous N-O bond formation producing isoxazolo[3,4-d]primidine-4,6-dione derivatives.