1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione | 137537-68-9

• 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-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 137537-68-9
• 化学式: C₆₃H₆₅N₄O₁₄PS
• 分子量: 1165.27
• InChiKey: SKQDGVRVHVABHN-QQCBOORJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.04
• 重原子数：
  83.0
• 可旋转键数：
  22.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  202.02
• 氢给体数：
  2.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione 在 三氟乙酸酐 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  N,N-diisopropyl-O-P-nitrophenyl-P-methylphosphonoamidite: novel difunctional PIII reagent in oligonucleoside methylphosphonate synthesis containing 4-nitrophenoxy group

  摘要：

  First example of the P(III) coupling reagent containing 4-nitrophenoxy group is described. Its usefulness is demonstrated by synthesis of dinucleoside methylphosphonate and methylthiophosphonate.

  DOI：

  10.1016/s0040-4039(00)93513-5
• 作为产物：
  描述：

  3’-O-(4,4’-二甲氧基三苯甲基)胸苷 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  N,N-diisopropyl-O-P-nitrophenyl-P-methylphosphonoamidite: novel difunctional PIII reagent in oligonucleoside methylphosphonate synthesis containing 4-nitrophenoxy group

  摘要：

  First example of the P(III) coupling reagent containing 4-nitrophenoxy group is described. Its usefulness is demonstrated by synthesis of dinucleoside methylphosphonate and methylthiophosphonate.

  DOI：

  10.1016/s0040-4039(00)93513-5