2,2,2-Trifluoro-N-{3-[1-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl-3-methoxy-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-propyl}-acetamide | 329324-29-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 2,2,2-Trifluoro-N-{3-[1-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl-3-methoxy-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-propyl}-acetamide
• 英文别名: 2,2,2-trifluoro-N-[3-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propyl]acetamide
• CAS: 329324-29-0
• 化学式: C₁₅H₂₀F₃N₃O₇
• 分子量: 411.335
• InChiKey: LUCUPBLGZXXGPW-DNRKLUKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,2,2-Trifluoro-N-{3-[1-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl-3-methoxy-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-propyl}-acetamide 在 磷酸三乙酯 、 Proton-Sponge 、 三氯氧磷 作用下， 反应 2.0h， 生成
  参考文献：
  名称：

  Functionalized nucleoside 5′-triphosphates for in vitro selection of new catalytic ribonucleic acids

  摘要：

  A series of novel 2'-modified nucleoside 5'-triphosphates was synthesized. The amino, imidazole, and carboxylate functionalities were attached to the 5-position of pyrimidine base of these molecules through alkynyl and alkyl spacers, respectively. Two different phosphorylation methods were used to optimize the yields of these highly modified triphosphates. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00226-2
• 作为产物：
  描述：

  2,2,2-Trifluoro-N-{3-[1-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl-3-methoxy-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-prop-2-ynyl}-acetamide 在 palladium on activated charcoal 氢气 作用下， 反应 24.0h， 生成 2,2,2-Trifluoro-N-{3-[1-((2R,3R,4R,5R)-4-hydroxy-5-hydroxymethyl-3-methoxy-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-propyl}-acetamide
  参考文献：
  名称：

  Functionalized nucleoside 5′-triphosphates for in vitro selection of new catalytic ribonucleic acids

  摘要：

  A series of novel 2'-modified nucleoside 5'-triphosphates was synthesized. The amino, imidazole, and carboxylate functionalities were attached to the 5-position of pyrimidine base of these molecules through alkynyl and alkyl spacers, respectively. Two different phosphorylation methods were used to optimize the yields of these highly modified triphosphates. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00226-2