6-aza-5,6-dihydro-5-methyluracil | 55846-36-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-aza-5,6-dihydro-5-methyluracil
• 英文别名: 5,6-dihydro-6-azathymine；6-methyl-[1,2,4]triazinane-3,5-dione；6-methyl-dihydro-[1,2,4]triazine-3,5-dione；6-Methyl-dihydro-[1,2,4]triazin-3,5-dion；5-Methyl-5.6-dihydro-6-aza-uracil (3.5-Dioxo-6-methyl-hexahydro-1.2.4-triazin)；Dioxo-3,5-methyl-6-hexahydrotriazin-1,2,4；1,2,4-Triazine-3,5(2H,4H)-dione, dihydro-6-methyl-；6-methyl-1,2,4-triazinane-3,5-dione
• CAS: 55846-36-1
• 化学式: C₄H₇N₃O₂
• mdl: MFCD11046396
• 分子量: 129.118
• InChiKey: QPRRREBNXKTPLU-UHFFFAOYSA-N

物化性质

• 熔点：
  214-215 °C(Solv: water (7732-18-5))
• 密度：
  1.200±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-aza-5,6-dihydro-5-methyluracil 、 potassium ethoxide 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Bailey; Knox, Journal of the American Chemical Society, 1907, vol. 29, p. 884

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氮杂胸腺嘧啶 在 溶剂黄146 、 锌 作用下， 以 水 为溶剂， 反应 5.0h， 以75.5%的产率得到6-aza-5,6-dihydro-5-methyluracil
  参考文献：
  名称：

  Zasada-Parzynska, Alicja; Golankiewicz, Krzysztof, Polish Journal of Chemistry, 1982, vol. 56, # 7/8/9, p. 1157 - 1163

  摘要：

  DOI：

文献信息

• Bailey, American Chemical Journal, 1902, vol. 28, p. 391
  作者：Bailey

  DOI：——

  日期：——
• Thiele; Bailey, Justus Liebigs Annalen der Chemie, 1898, vol. 303, p. 85
  作者：Thiele、Bailey

  DOI：——

  日期：——
• New Non-Aromatic Triazinic Nucleosides: Synthesis and Antiretroviral Evaluation of β-Ribosylamine Nucleoside Analogs
  作者：Jean Depelley、Robert Granet、Mourad Kaouadji、Pierre Krausz、Salomon Piekarski、Sylvie Delebassée、Claudine Bosgiraud

  DOI：10.1080/07328319608002030

  日期：1996.5

  Various 5-alkyl-6-aza-5,6-dihydrouridines and 6-(beta-D-ribopyranosyl)-5-alkyl-6-aza-5,6-dihydrouraciIs have been synthesized. A new regioselective method is described for coupling triazinic bases to the sugar unit. Different epimers were isolated. Antiretroviral activity against Visna virus was evaluated.
• Synthesis and Antiretroviral Evaluation of Various 5-Alkyl-6-AZA-5,6-Dihydrouridine
  作者：Jean Depelley、Robert Granet、Pierre Krausz、Salomon Piekarski、Claudine Bosgiraud、Sylvie Beaussoleil

  DOI：10.1080/15257779408011873

  日期：1994.5

  Various 5-alkyl-6-aza-5,6-dihydrouridine were synthesized from the corresponding triazinic heterocycles and acetylated ribose. These nucleosides were tested for inhibitory activity on lentivirus Visna-Maedi.
• ZASADA-PARZYNSKA, A.;GOLANKIEWICZ, K., POL. J. CHEM., 1982, 56, N 7-9, 1157-1163
  作者：ZASADA-PARZYNSKA, A.、GOLANKIEWICZ, K.

  DOI：——

  日期：——