2-(2-methoxyethylthio)-pyrimidin-4-(1H)-one | 221071-63-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(2-methoxyethylthio)-pyrimidin-4-(1H)-one
• 英文别名: 2-(2-methoxyethylsulfanyl)-1H-pyrimidin-6-one
• CAS: 221071-63-2
• 化学式: C₇H₁₀N₂O₂S
• mdl: MFCD20542763
• 分子量: 186.235
• InChiKey: CXPRBMBROKYBEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-methoxyethylthio)-pyrimidin-4-(1H)-one 在 甲醇 、 氨 、 sodium hydride 作用下， 反应 1.0h， 生成 1-<2-(2-hydroxyethoxy)ethyl>-2-(2-methoxyethylthio)-pyrimidin-4-(1H)-one
  参考文献：
  名称：

  Synthesis of New Thiolated Acyclonucleosides with Potential Anti-HBV Activity

  摘要：

  Treatment of the sodium salt of compounds 1, 7 or 12 with chloroethyl methyl ether, 2-chloroethyl toluoylate or 2-(2-chloro ethoxy)ethyl acetate afforded the corresponding derivatives 2, 3, 4, 8, 9, 13 and 14. Ammonolysis of 3, 4, 9 and 14 at room temperature gave the corresponding hydroxyalkyl derivatives 5, 6, 10, 11, and 15, respectively. Alkylation of 2,4-dithiouracil gave 2,4-dialkylthio pyrimidine.

  DOI：

  10.1080/07328319908045597
• 作为产物：
  描述：

  2-硫脲嘧啶 、 2-氯乙基甲基醚 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 22.0h， 以70%的产率得到2-(2-methoxyethylthio)-pyrimidin-4-(1H)-one
  参考文献：
  名称：

  Synthesis of New Thiolated Acyclonucleosides with Potential Anti-HBV Activity

  摘要：

  Treatment of the sodium salt of compounds 1, 7 or 12 with chloroethyl methyl ether, 2-chloroethyl toluoylate or 2-(2-chloro ethoxy)ethyl acetate afforded the corresponding derivatives 2, 3, 4, 8, 9, 13 and 14. Ammonolysis of 3, 4, 9 and 14 at room temperature gave the corresponding hydroxyalkyl derivatives 5, 6, 10, 11, and 15, respectively. Alkylation of 2,4-dithiouracil gave 2,4-dialkylthio pyrimidine.

  DOI：

  10.1080/07328319908045597

文献信息

• Synthesis of New Thiolated Acyclonucleosides with Potential Anti-HBV Activity
  作者：Ibrahim F. Zeid、Adel A: H. Abdel-Rahman、Ahmed E.-S. Abdel-Megied、Abd-Allah Sh. Ei-Etrawy

  DOI：10.1080/07328319908045597

  日期：1999.1

  Treatment of the sodium salt of compounds 1, 7 or 12 with chloroethyl methyl ether, 2-chloroethyl toluoylate or 2-(2-chloro ethoxy)ethyl acetate afforded the corresponding derivatives 2, 3, 4, 8, 9, 13 and 14. Ammonolysis of 3, 4, 9 and 14 at room temperature gave the corresponding hydroxyalkyl derivatives 5, 6, 10, 11, and 15, respectively. Alkylation of 2,4-dithiouracil gave 2,4-dialkylthio pyrimidine.