[(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylsulfanyl]-acetic acid methyl ester | 263767-38-0

• 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: [(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylsulfanyl]-acetic acid methyl ester
• 英文别名: methyl 2-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]sulfanylacetate
• CAS: 263767-38-0
• 化学式: C₃₃H₃₄N₂O₉S
• 分子量: 634.707
• InChiKey: IASPJFSBHUSXTM-VNWIGOPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  158
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 [(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylsulfanyl]-acetic acid methyl ester 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到[(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylsulfanyl]-acetic acid methyl ester
  参考文献：
  名称：

  Post-synthetic functionalization of oligodeoxyribonucleotides at the 2′-position

  摘要：

  Oligodeoxyribonucleotides bearing 2'-methoxycarbonylmethylthio-2'-deoxyuridine were synthesized. This: reactive substituent at the 2'-position could be used for post-synthetic functionalization. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01926-2
• 作为产物：
  描述：

  2'-deoxy-2'-mercaptouridine 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 生成 [(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylsulfanyl]-acetic acid methyl ester
  参考文献：
  名称：

  Post-synthetic functionalization of oligodeoxyribonucleotides at the 2′-position

  摘要：

  Oligodeoxyribonucleotides bearing 2'-methoxycarbonylmethylthio-2'-deoxyuridine were synthesized. This: reactive substituent at the 2'-position could be used for post-synthetic functionalization. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01926-2