4-Acetylamino-1-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid 2,2,2-trifluoro-ethyl ester | 186601-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-Acetylamino-1-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid 2,2,2-trifluoro-ethyl ester
• CAS: 186601-20-7
• 化学式: C₃₅H₃₄F₃N₃O₉
• 分子量: 697.665
• InChiKey: LSKJHAXDPXPIKY-FRXPANAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  50.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  147.44
• 氢给体数：
  2.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  4-Acetylamino-1-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid 2,2,2-trifluoro-ethyl ester 在 甲醇 、 氨 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.17h， 生成 4-Amino-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid (6-acetylamino-hexyl)-amide
  参考文献：
  名称：

  Nucleosides and nucleotides. 161. Incorporation of 5-(N-aminoalkyl)carbamoyl-2′-deoxycytidines into oligodeoxyribonucleotides by a convenient post-synthetic modification method

  摘要：

  5-Trifluoroethoxycarbonyl-2'-deoxycytidine derivatives were synthesized and incorporated into oligonucleotides. The fully protected oligonucleotides were treated with diaminoethane or 1,6-diaminohexane to give oligonucleotides carrying amino-linkers, which were further derivatized with an intercalator. The properties of these oligonucleotides are described. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00519-7
• 作为产物：
  描述：

  5-碘-2'-脱氧胞苷 在 二(氰基苯)二氯化钯 吡啶 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-Acetylamino-1-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid 2,2,2-trifluoro-ethyl ester
  参考文献：
  名称：

  Nucleosides and nucleotides. 161. Incorporation of 5-(N-aminoalkyl)carbamoyl-2′-deoxycytidines into oligodeoxyribonucleotides by a convenient post-synthetic modification method

  摘要：

  5-Trifluoroethoxycarbonyl-2'-deoxycytidine derivatives were synthesized and incorporated into oligonucleotides. The fully protected oligonucleotides were treated with diaminoethane or 1,6-diaminohexane to give oligonucleotides carrying amino-linkers, which were further derivatized with an intercalator. The properties of these oligonucleotides are described. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00519-7