6-Phenylsulfanyl-2H-[1,2,4]triazine-3,5-dione | 4956-11-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-Phenylsulfanyl-2H-[1,2,4]triazine-3,5-dione
• 英文别名: 6-phenylsulfanyl-2H-1,2,4-triazine-3,5-dione
• CAS: 4956-11-0
• 化学式: C₉H₇N₃O₂S
• mdl: MFCD01678976
• 分子量: 221.239
• InChiKey: YQBWRFITNOEMPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Phenylsulfanyl-2H-[1,2,4]triazine-3,5-dione 在 三甲基氯硅烷 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 Acetic acid 2-(3,5-dioxo-6-phenylsulfanyl-4,5-dihydro-3H-[1,2,4]triazin-2-ylmethoxy)-ethyl ester
  参考文献：
  名称：

  As-Triazine Derivatives with Potential Therapeutic Action. XXVI.¹Synthesis of 5-Substituted-6-Azauracil Acyclonucleosides

  摘要：

  5-Substituted 6-azauracils were alkylated with (2-acetoxyethoxy)methyl bromide to give protected acyclic nucleosides which were deprotected to afford acyclonucleosides of 5-substituted 6-azauracils. Their structures have been established by the UV and H-1-NMR spectra and by elemental analysis.

  DOI：

  10.1080/07328319808003470
• 作为产物：
  描述：

  3-(3,5-Dioxo-6-phenylsulfanyl-1,2,4-triazin-2-yl)propanenitrile 、 sodium ethanolate 、 sodium hydroxide 生成 6-Phenylsulfanyl-2H-[1,2,4]triazine-3,5-dione
  参考文献：
  名称：

  CRISTESCU, C.;SITARU, S., REV. ROUM. CHIM., 1985, 30, N 3, 233-238

  摘要：

  DOI：

文献信息

• Cristescu, Carol; Czobor, Francisc, Revue Roumaine de Chimie, 1996, vol. 41, # 9-10, p. 779 - 783
  作者：Cristescu, Carol、Czobor, Francisc

  DOI：——

  日期：——
• As-Triazine Derivatives with Potential Therapeutic Action. XXVI.¹Synthesis of 5-Substituted-6-Azauracil Acyclonucleosides
  作者：Carol Cristescu、Francisc Czobor

  DOI：10.1080/07328319808003470

  日期：1998.8

  5-Substituted 6-azauracils were alkylated with (2-acetoxyethoxy)methyl bromide to give protected acyclic nucleosides which were deprotected to afford acyclonucleosides of 5-substituted 6-azauracils. Their structures have been established by the UV and H-1-NMR spectra and by elemental analysis.
• CRISTESCU, C.;SITARU, S., REV. ROUM. CHIM., 1985, 30, N 3, 233-238
  作者：CRISTESCU, C.、SITARU, S.

  DOI：——

  日期：——