Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[5-(8-ethynyl-anthracen-1-ylethynyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-3-yl ester | 183788-90-1

• 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,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[5-(8-ethynyl-anthracen-1-ylethynyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-3-yl ester
• CAS: 183788-90-1
• 化学式: C₃₃H₂₆N₂O₉
• 分子量: 594.577
• InChiKey: TWBRUYCXSLHAPW-PBAMLIMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  44.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  142.99
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2',3',5'-三-O-乙酰基-8-溴腺苷 、 Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[5-(8-ethynyl-anthracen-1-ylethynyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-3-yl ester 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以71%的产率得到
  参考文献：
  名称：

  Design, Synthesis, and Self-Assembly of “Artificial Dinucleotide Duplexes”

  摘要：

  The synthesis of the A-U and G-C functionalized systems 1, 2, 3, and 4 has been accomplished using palladium-mediated cross-coupling reactions. These systems undergo self-association in nonpolar solvents such as CDCl3 as judged from FABMS and NMR spectroscopic analyses.

  DOI：

  10.1021/jo980194p
• 作为产物：
  描述：

  1,8-diethynylanthracene 、 2',3',5'-tri-O-acetyl-5-iodouridine 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以10%的产率得到
  参考文献：
  名称：

  Design, Synthesis, and Self-Assembly of “Artificial Dinucleotide Duplexes”

  摘要：

  The synthesis of the A-U and G-C functionalized systems 1, 2, 3, and 4 has been accomplished using palladium-mediated cross-coupling reactions. These systems undergo self-association in nonpolar solvents such as CDCl3 as judged from FABMS and NMR spectroscopic analyses.

  DOI：

  10.1021/jo980194p

文献信息

• Sessler, Jonathan L.; Wang, Ruizheng, Journal of the American Chemical Society, 1996, vol. 118, # 40, p. 9808 - 9809
  作者：Sessler, Jonathan L.、Wang, Ruizheng

  DOI：——

  日期：——