2,2-Dimethyl-propionic acid 3-[(2R,3R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl]-2-oxo-2H-chromen-7-yl ester | 282543-37-7

• 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: 2,2-Dimethyl-propionic acid 3-[(2R,3R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl]-2-oxo-2H-chromen-7-yl ester
• CAS: 282543-37-7
• 化学式: C₄₅H₄₃N₃O₁₂
• 分子量: 817.849
• InChiKey: JGJDVZFRZJFRNN-PKGPUZNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.68
• 重原子数：
  60.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  197.62
• 氢给体数：
  3.0
• 氢受体数：
  13.0

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 、 2,2-Dimethyl-propionic acid 3-[(2R,3R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl]-2-oxo-2H-chromen-7-yl ester 在 四氮唑 作用下， 以 二氯甲烷 为溶剂， 以59%的产率得到[3-[[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamoyl]-2-oxochromen-7-yl] 2,2-dimethylpropanoate
  参考文献：
  名称：

  Coumarin–fluorescein pair as a new donor–acceptor set for fluorescence energy transfer study of DNA

  摘要：

  A method for introduction of the 2'-coumarin labeled nucleoside as a fluorescence energy donor into DNA duplexes has been described. Efficient FRET occurs between the coumarin-fluorescein pair in DNA owing to the high quantum yield of the donor. The present donor-acceptor pair may be useful as FRET indicator of DNA structures in solution, (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00215-x
• 作为产物：
  描述：

  7-羟基香豆素-3-羧酸 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-Dimethyl-propionic acid 3-[(2R,3R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl]-2-oxo-2H-chromen-7-yl ester
  参考文献：
  名称：

  Coumarin–fluorescein pair as a new donor–acceptor set for fluorescence energy transfer study of DNA

  摘要：

  A method for introduction of the 2'-coumarin labeled nucleoside as a fluorescence energy donor into DNA duplexes has been described. Efficient FRET occurs between the coumarin-fluorescein pair in DNA owing to the high quantum yield of the donor. The present donor-acceptor pair may be useful as FRET indicator of DNA structures in solution, (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00215-x