7-methyl-2-thiohypoxantine | 5730-09-6

• 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: 7-methyl-2-thiohypoxantine
• 英文别名: 7-methyl-2-thioxanthine；7-methyl-2-thioxo-1,2,3,7-tetrahydro-purin-6-one；7-Methyl-2-thioxo-1,2,3,7-tetrahydro-purin-6-on；7-Methyl-2-thio-xanthin；Heteroxanthine, 2-thio-；7-methyl-2-sulfanylidene-3H-purin-6-one
• CAS: 5730-09-6
• 化学式: C₆H₆N₄OS
• 分子量: 182.206
• InChiKey: DTBQXFPNEUQMFC-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 密度：
  1.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-methyl-2-thiohypoxantine 在 三氯氧磷 作用下， 反应 4.0h， 以79%的产率得到6-chloro-7-methyl-2-thioxo-2,3-dihydropurine
  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：

  2-氯-6-羟基-7-甲基嘌呤 在 NaSH*1.5H₂O 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以88%的产率得到7-methyl-2-thiohypoxantine
  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

• Prasad; Robins, Journal of the American Chemical Society, 1957, vol. 79, p. 6401,6405
  作者：Prasad、Robins

  DOI：——

  日期：——
• 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.
• POMAHEHKO, N. I.;PONOMARENKO, N. I.;KLYUEV, N. A.;PRIJMENKO, B. A.;FEDULO+, YKP. XIM. ZH., 55,(1989) N0, S. 1076-1078
  作者：POMAHEHKO, N. I.、PONOMARENKO, N. I.、KLYUEV, N. A.、PRIJMENKO, B. A.、FEDULO+

  DOI：——

  日期：——
• Synthesis of Bis(7-Methyl-2- or 6-Purinyl) Disulfides
  作者：Alicja Kowalska

  DOI：10.1080/10426500701542734

  日期：2007.10.18

  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.