(7E)-1-ethyl-3,5-dimethyl-7-(phenylsulfanylmethylidene)-6H-pyrrolo[3,2-d]pyrimidine-2,4-dione | 1246298-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: (7E)-1-ethyl-3,5-dimethyl-7-(phenylsulfanylmethylidene)-6H-pyrrolo[3,2-d]pyrimidine-2,4-dione
• CAS: 1246298-93-0
• 化学式: C₁₇H₁₉N₃O₂S
• 分子量: 329.423
• InChiKey: KWDFGUUZTQNFAY-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  C₁₁H₁₅N₃O₂ 、 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61%的产率得到(7E)-1-ethyl-3,5-dimethyl-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

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.