1-{6-[bis(4-methoxyphenyl)phenylmethoxymethyl]-2-trichloromethyl-3a,4,6,6a-tetrahydrofuro[3,4-d]oxazol-4-yl}-3-methyl-1H-pyrimidine-2,4-dione | 850452-74-3

• 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-{6-[bis(4-methoxyphenyl)phenylmethoxymethyl]-2-trichloromethyl-3a,4,6,6a-tetrahydrofuro[3,4-d]oxazol-4-yl}-3-methyl-1H-pyrimidine-2,4-dione
• CAS: 850452-74-3
• 化学式: C₃₃H₃₀Cl₃N₃O₇
• 分子量: 686.976
• InChiKey: LCUIETLJODILKA-YXINZVNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  102.51
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1-{6-[bis(4-methoxyphenyl)phenylmethoxymethyl]-2-trichloromethyl-3a,4,6,6a-tetrahydrofuro[3,4-d]oxazol-4-yl}-3-methyl-1H-pyrimidine-2,4-dione 在 caesium carbonate 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 168.0h， 生成 1-{3-[bis(2-hydroxyethyl)amino]-5-[bis(4-methoxyphenyl)phenylmethoxymethyl]-4-hydroxytetrahydrofuran-2-yl}-3-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Syntheses of Silatranyl- and Germatranyluridines

  摘要：

  [GRAPHICS]Silatranyluridine 1 and germatranyluridine 2 have been prepared in five steps from oxazolinouridine 3 in 27 and 29% yields, respectively. These compounds are novel transition-state analogues (TSAs) for RNA hydrolysis and offer a number of advantages over traditional vanadium-or rhenium-based TSAs. Germatrane 2 is completely stable in D2O at room temperature, and the half-life of silatrane 1 in D2O was found to be > 7 days by H-1 NMR spectroscopy.

  DOI：

  10.1021/ol050133v
• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 5'-O-(4,4'-dimethoxytrityl)-2'-N,3'-O-(2-(trichloromethyl)oxazolino)-2'-deoxy-1-(β-D-ribofuranosyl)uracil 以 甲苯 为溶剂， 反应 5.0h， 以95%的产率得到1-{6-[bis(4-methoxyphenyl)phenylmethoxymethyl]-2-trichloromethyl-3a,4,6,6a-tetrahydrofuro[3,4-d]oxazol-4-yl}-3-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Syntheses of Silatranyl- and Germatranyluridines

  摘要：

  [GRAPHICS]Silatranyluridine 1 and germatranyluridine 2 have been prepared in five steps from oxazolinouridine 3 in 27 and 29% yields, respectively. These compounds are novel transition-state analogues (TSAs) for RNA hydrolysis and offer a number of advantages over traditional vanadium-or rhenium-based TSAs. Germatrane 2 is completely stable in D2O at room temperature, and the half-life of silatrane 1 in D2O was found to be > 7 days by H-1 NMR spectroscopy.

  DOI：

  10.1021/ol050133v