3-ethyl-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | 65183-73-5

• 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: 3-ethyl-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
• 英文别名: 3-ethyl-5,7-dimethyl-7H-isoxazolo[3,4-d]pyrimidine-4,6-dione；3-Ethyl-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione；3-ethyl-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
• CAS: 65183-73-5
• 化学式: C₉H₁₁N₃O₃
• 分子量: 209.205
• InChiKey: LNJAXYABVMXDKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  C₉H₁₃N₃O₃ 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 3.0h， 以72%的产率得到3-ethyl-5,7-dimethylisoxazolo[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

文献信息

• Marumoto,R.; Furukawa,Y., Chemical and pharmaceutical bulletin, 1977, vol. 25, p. 2974 - 2982
  作者：Marumoto,R.、Furukawa,Y.

  DOI：——

  日期：——
• HIROTA KOSAKU; ASAO TETSUJI; FUJIOKA TAKAFUMI; SENDA SHIGEO, NIXON KAGAKU KAJSI, NIRRON KAGAKU KAISNI, J. CHEM. SOS. JAR., CHEM. AND I+
  作者：HIROTA KOSAKU、 ASAO TETSUJI、 FUJIOKA TAKAFUMI、 SENDA SHIGEO

  DOI：——

  日期：——
• MARUMOTO R.; FURUKAWA Y., CHEM. AND PHARM. BULL. <CPBT-AL>, 1977, 25, NO 11,
  作者：MARUMOTO R.、 FURUKAWA Y.

  DOI：——

  日期：——
• 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.