2-(3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylsulfanyl)-dodecanoic acid ethyl ester | 87202-59-3

• 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-(3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylsulfanyl)-dodecanoic acid ethyl ester
• 英文别名: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
• CAS: 87202-59-3
• 化学式: C₁₇H₂₉N₃O₄S
• 分子量: 371.501
• InChiKey: WKVOECQBWDOIBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  六甲基二硅氮烷 、 2-(3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylsulfanyl)-dodecanoic acid ethyl ester 在 三甲基氯硅烷 作用下， 生成 Ethyl 2-[[3,5-bis(trimethylsilyloxy)-1,2,4-triazin-6-yl]sulfanyl]dodecanoate
  参考文献：
  名称：

  As-Triazine Derivatives with Potential Therapeutic Action XXVII. Synthesis of 5-[Alkyl-(ethoxycarbonyl)methyl]mercapto-6-azauridines

  摘要：

  5-Mercapto-6-azauracil (I) reacted in aqueous medium with ethyl alpha-haloalkanoates giving 5-[alkyl-(ethoxycarbonyl)methyl]mercapto (II). Their 2,4-bis(trimethylsilyloxy) derivatives (III) were condensed with 1-O-acetyl-2,3,5-tri-O-benzoyl-D-ribofuranose in the presence of anhydrous stannic chloride to afford the corresponding blocked nucleosides (IV). Under the action of sodium methoxide, the derivatives IV were debenzoylated with the formation of the title compounds (V).

  DOI：

  10.1080/15257779908041517
• 作为产物：
  描述：

  sodium 3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-thiolate 、 alkaline earth salt of/the/ methylsulfuric acid 以 水 为溶剂， 生成 2-(3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylsulfanyl)-dodecanoic acid ethyl ester
  参考文献：
  名称：

  As-Triazine Derivatives with Potential Therapeutic Action XXVII. Synthesis of 5-[Alkyl-(ethoxycarbonyl)methyl]mercapto-6-azauridines

  摘要：

  5-Mercapto-6-azauracil (I) reacted in aqueous medium with ethyl alpha-haloalkanoates giving 5-[alkyl-(ethoxycarbonyl)methyl]mercapto (II). Their 2,4-bis(trimethylsilyloxy) derivatives (III) were condensed with 1-O-acetyl-2,3,5-tri-O-benzoyl-D-ribofuranose in the presence of anhydrous stannic chloride to afford the corresponding blocked nucleosides (IV). Under the action of sodium methoxide, the derivatives IV were debenzoylated with the formation of the title compounds (V).

  DOI：

  10.1080/15257779908041517

文献信息

• As-Triazine Derivatives with Potential Therapeutic Action XXVII. Synthesis of 5-[Alkyl-(ethoxycarbonyl)methyl]mercapto-6-azauridines
  作者：Francisc Czobor、Carol Cristescu

  DOI：10.1080/15257779908041517

  日期：1999.4

  5-Mercapto-6-azauracil (I) reacted in aqueous medium with ethyl alpha-haloalkanoates giving 5-[alkyl-(ethoxycarbonyl)methyl]mercapto (II). Their 2,4-bis(trimethylsilyloxy) derivatives (III) were condensed with 1-O-acetyl-2,3,5-tri-O-benzoyl-D-ribofuranose in the presence of anhydrous stannic chloride to afford the corresponding blocked nucleosides (IV). Under the action of sodium methoxide, the derivatives IV were debenzoylated with the formation of the title compounds (V).