Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(5-{4-[1,3-bis-(tert-butyl-dimethyl-silanyloxy)-4,4,5,5-tetramethyl-imidazolidin-2-yl]-phenyl}-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester | 847659-10-3

• 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: Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(5-{4-[1,3-bis-(tert-butyl-dimethyl-silanyloxy)-4,4,5,5-tetramethyl-imidazolidin-2-yl]-phenyl}-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
• 英文别名: [(2R,3S,5R)-3-acetyloxy-5-[5-[4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetramethylimidazolidin-2-yl]phenyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
• CAS: 847659-10-3
• 化学式: C₃₈H₆₂N₄O₉Si₂
• 分子量: 775.103
• InChiKey: BWZHPKXWUWHOLG-OJDZSJEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.03
• 重原子数：
  53
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(5-{4-[1,3-bis-(tert-butyl-dimethyl-silanyloxy)-4,4,5,5-tetramethyl-imidazolidin-2-yl]-phenyl}-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以100%的产率得到5-{4-[1,3-Bis-(tert-butyl-dimethyl-silanyloxy)-4,4,5,5-tetramethyl-imidazolidin-2-yl]-phenyl}-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and ESR studies of nitronyl nitroxide-tethered oligodeoxynucleotides

  摘要：

  We report oil the development of a nucleoside labeled with a nitronyl nitroxide group, U-NN, and the synthesis of oligodeoxynucleotides containing U-NN. The spin signals of U-NN. containing oligodeoxynucleotides varied with the degree of hybridization of the complementary strand and the distance between nitronyl nitroxide spins. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.012
• 作为产物：
  描述：

  Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-[5-(4-formyl-phenyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-3-yl ester 在 咪唑 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(5-{4-[1,3-bis-(tert-butyl-dimethyl-silanyloxy)-4,4,5,5-tetramethyl-imidazolidin-2-yl]-phenyl}-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Synthesis and ESR studies of nitronyl nitroxide-tethered oligodeoxynucleotides

  摘要：

  We report oil the development of a nucleoside labeled with a nitronyl nitroxide group, U-NN, and the synthesis of oligodeoxynucleotides containing U-NN. The spin signals of U-NN. containing oligodeoxynucleotides varied with the degree of hybridization of the complementary strand and the distance between nitronyl nitroxide spins. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.012