1-[[1-((4-acetoxyethoxy)methyl)-1,2,3-triazol-4-yl]methyl]-5-bromouracil | 199875-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-[[1-((4-acetoxyethoxy)methyl)-1,2,3-triazol-4-yl]methyl]-5-bromouracil
• 英文别名: 2-[[4-[(5-Bromo-2,4-dioxo-pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethyl acetate；2-[[4-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethyl acetate
• CAS: 199875-47-3
• 化学式: C₁₂H₁₄BrN₅O₅
• 分子量: 388.178
• InChiKey: RPRAIHDRKOLETA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[[1-((4-acetoxyethoxy)methyl)-1,2,3-triazol-4-yl]methyl]-5-bromouracil 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以82%的产率得到1-[[1-[(4-hydroxyethoxy)methyl]-1,2,3-triazol-4-yl]methyl]-5-bromouracil
  参考文献：
  名称：

  SYNTHESIS AND ANTI-HIV ACTIVITY OF NEW MODIFIED 1,2,3-TRIAZOLE ACYCLONUCLEOSIDES

  摘要：

  The synthesis of 1,2,3-triazole acyclonucleosides 7a-h via 1,3-dipolar cycloaddition of N-9/N-1-propargyipurine/pyrimidine 2a-h with azido-pseudo-sugar 4 is described and none of them had anti-HlV activity.

  DOI：

  10.1081/ncn-100108325
• 作为产物：
  描述：

  1-(丙-2-炔-1-基)嘧啶-2,4(1H,3H)-二酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 吡啶 、 甲苯 为溶剂， 反应 0.5h， 生成 1-[[1-((4-acetoxyethoxy)methyl)-1,2,3-triazol-4-yl]methyl]-5-bromouracil
  参考文献：
  名称：

  SYNTHESIS AND ANTI-HIV ACTIVITY OF NEW MODIFIED 1,2,3-TRIAZOLE ACYCLONUCLEOSIDES

  摘要：

  The synthesis of 1,2,3-triazole acyclonucleosides 7a-h via 1,3-dipolar cycloaddition of N-9/N-1-propargyipurine/pyrimidine 2a-h with azido-pseudo-sugar 4 is described and none of them had anti-HlV activity.

  DOI：

  10.1081/ncn-100108325

文献信息

• Synthesis of New 1,2,3-Triazole Acyclonucleoside Analogues of ACV and HBG
  作者：H. B. Lazrek、M. Taourirte、T. Oulih、M. Lebtoumi、J. L. Barascut、J. L. Imbach

  DOI：10.1080/07328319708006145

  日期：1997.7

  1,3-dipolar cycloaddition of N-9/N-1-propargylpurine/pyrimidine to the corresponding azido-compounds 9-10 produces acyclonucleoside analogues 13a-h, 14a-h in which the 4-methyl-1,2,3-triazole is used as spacer arm.
• SYNTHESIS AND ANTI-HIV ACTIVITY OF NEW MODIFIED 1,2,3-TRIAZOLE ACYCLONUCLEOSIDES
  作者：H. Lazrek、M. Taourirte、T. Oulih、J. Barascut、J. Imbach、C. Pannecouque、M. Witrouw、E. De Clercq

  DOI：10.1081/ncn-100108325

  日期：——

  The synthesis of 1,2,3-triazole acyclonucleosides 7a-h via 1,3-dipolar cycloaddition of N-9/N-1-propargyipurine/pyrimidine 2a-h with azido-pseudo-sugar 4 is described and none of them had anti-HlV activity.