1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione | 175544-01-1

• 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: 1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
• CAS: 175544-01-1
• 化学式: C₃₂H₃₄N₂O₇
• 分子量: 558.631
• InChiKey: HCRNSVKXBMBKRS-YTCPBCGMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione 在 二异丙基铵盐四氮唑 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-[[(2R,3S,5S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
  参考文献：
  名称：

  [(2-Deoxy-α- and β-D-erythro-pentofuranosyl)thymin-1-YL] methane derivatives as potential conformational probes for altDNA oligonucleotides

  摘要：

  The previously unknown deoxyribonucleoside analogues 2a,b have been efficiently synthesized from commercial 1-O-methyl-2-deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranose. The conversion of these nucleosides to the phosphoramidite derivatives 13a,b and 14a,b for subsequent incorporation into oligodeoxyribonucleotide analogues is also described.

  DOI：

  10.1016/0960-894x(95)00589-l
• 作为产物：
  描述：

  2-deoxy-3,5-di-O-p-toluoyl-α-D-erythropentofuranosyl 1-cyanide 在 盐酸 、 甲醇 、 4-二甲氨基吡啶 、 氢氧化钾 、 硼烷 、 三乙胺 作用下， 以 吡啶 、 乙醇 、 水 、 溶剂黄146 、 苯 为溶剂， 反应 33.17h， 生成 1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  [(2-Deoxy-α- and β-D-erythro-pentofuranosyl)thymin-1-YL] methane derivatives as potential conformational probes for altDNA oligonucleotides

  摘要：

  The previously unknown deoxyribonucleoside analogues 2a,b have been efficiently synthesized from commercial 1-O-methyl-2-deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranose. The conversion of these nucleosides to the phosphoramidite derivatives 13a,b and 14a,b for subsequent incorporation into oligodeoxyribonucleotide analogues is also described.

  DOI：

  10.1016/0960-894x(95)00589-l

文献信息

• [(2-Deoxy-α- and β-D-erythro-pentofuranosyl)thymin-1-YL] methane derivatives as potential conformational probes for altDNA oligonucleotides
  作者：Carlo L. Scremin、Jila H. Boal、Andrzej Wilk、Lawrence R. Phillips、Serge L. Beaucage

  DOI：10.1016/0960-894x(95)00589-l

  日期：1996.1

  The previously unknown deoxyribonucleoside analogues 2a,b have been efficiently synthesized from commercial 1-O-methyl-2-deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranose. The conversion of these nucleosides to the phosphoramidite derivatives 13a,b and 14a,b for subsequent incorporation into oligodeoxyribonucleotide analogues is also described.