1,3-Dimethyl-5-[methyl(prop-2-ynyl)amino]pyrimidine-2,4-dione | 1246298-83-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-Dimethyl-5-[methyl(prop-2-ynyl)amino]pyrimidine-2,4-dione
• CAS: 1246298-83-8
• 化学式: C₁₀H₁₃N₃O₂
• 分子量: 207.232
• InChiKey: HSVWSDAGEHFCTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-Dimethyl-5-[methyl(prop-2-ynyl)amino]pyrimidine-2,4-dione 、 苯硫酚 在 偶氮二异丁腈 作用下， 以 叔丁醇 为溶剂， 反应 3.0h， 以65%的产率得到(7E)-1,3,5-trimethyl-7-(phenylsulfanylmethylidene)-6H-pyrrolo[3,2-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  Thiophenol mediated radical cyclization: an expedient approach to 2H-pyrrolo[3,2-d]pyrimidines (9-deazaxanthine analogs)

  摘要：

  A new efficient route for the synthesis of substituted 2H-pyrrolopyrimidines (9-deazaxanthine analogs) via thiophenol mediated radical cyclization has been achieved. The stereochemistry of the newly synthesised compounds has been settled from NOE data. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.163
• 作为产物：
  描述：

  3-溴丙炔 、 1,3-dimethyl-5-(N-methylamino)pyrimidine-2,4-dione 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以95%的产率得到1,3-Dimethyl-5-[methyl(prop-2-ynyl)amino]pyrimidine-2,4-dione
  参考文献：
  名称：

  Thiophenol mediated radical cyclization: an expedient approach to 2H-pyrrolo[3,2-d]pyrimidines (9-deazaxanthine analogs)

  摘要：

  A new efficient route for the synthesis of substituted 2H-pyrrolopyrimidines (9-deazaxanthine analogs) via thiophenol mediated radical cyclization has been achieved. The stereochemistry of the newly synthesised compounds has been settled from NOE data. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.163

文献信息

• Thiophenol mediated radical cyclization: an expedient approach to 2H-pyrrolo[3,2-d]pyrimidines (9-deazaxanthine analogs)
  作者：K.C. Majumdar、Shovan Mondal、Debankan Ghosh

  DOI：10.1016/j.tetlet.2010.07.163

  日期：2010.10

  A new efficient route for the synthesis of substituted 2H-pyrrolopyrimidines (9-deazaxanthine analogs) via thiophenol mediated radical cyclization has been achieved. The stereochemistry of the newly synthesised compounds has been settled from NOE data. (C) 2010 Elsevier Ltd. All rights reserved.