6-methoxy-7-methyl-2-thioxanthine | 933443-19-7

• 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-methoxy-7-methyl-2-thioxanthine
• 英文别名: 6-methoxy-7-methyl-2-thioxo-2,3-dihydropurine；6-methoxy-7-methyl-3H-purine-2-thione
• CAS: 933443-19-7
• 化学式: C₇H₈N₄OS
• 分子量: 196.233
• InChiKey: ANWCDGJSPFICFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methoxy-7-methyl-2-thioxanthine 在 双氧水 作用下， 以 乙醇 为溶剂， 反应 0.17h， 以73%的产率得到bis(7-methyl-6-methoxy-2-purinyl)disulfide
  参考文献：
  名称：

  Synthesis of Bis(7-Methyl-2- or 6-Purinyl) Disulfides

  摘要：

  Substituted 7-methyl-2- or 6-purinethiones were obtained in series of reactions by nucleophilic substitution with oxygen, chloro, and sulfur nucleophiles. Oxidation of the sulfur atom at position 6 or 2 in purinethiones to corresponding disulfides depended on the conditions of the reaction and oxidizing agent.

  DOI：

  10.1080/10426500701542734
• 作为产物：
  描述：

  6-chloro-7-methyl-2-thioxo-2,3-dihydropurine 、 sodium methylate 以 甲醇 为溶剂， 反应 3.0h， 以79%的产率得到6-methoxy-7-methyl-2-thioxanthine
  参考文献：
  名称：

  Synthesis of Bis(7-Methyl-2- or 6-Purinyl) Disulfides

  摘要：

  Substituted 7-methyl-2- or 6-purinethiones were obtained in series of reactions by nucleophilic substitution with oxygen, chloro, and sulfur nucleophiles. Oxidation of the sulfur atom at position 6 or 2 in purinethiones to corresponding disulfides depended on the conditions of the reaction and oxidizing agent.

  DOI：

  10.1080/10426500701542734

文献信息

• Synthesis of Isomeric Analogs of Azathioprine
  作者：Alicja Kowalska、Krystian Pluta、Kinga Suwińska

  DOI：10.3987/com-09-11742

  日期：——

  The effective synthesis of isomeric analogs of azathioprine 6-substituted derivatives of 7-methyl-2-(1-methyl-4-nitroimidazol-5-ylthio)purines (2), (4) and (6-8) has been worked Out using different reactivity of the imidazolylthio groups in 7-methyl-2,6-di(1-methyl-4-nitroimidazol-5-ylthio)purine (1) towards selected reagents. X-Ray analysis of compound (1) showed an unusual conformation of the imidazolylthio groups.