(R)-Methyl-phosphonic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-isobutyrylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester | 191786-70-6

• 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: (R)-Methyl-phosphonic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-isobutyrylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester
• CAS: 191786-70-6
• 化学式: C₃₈H₄₀F₆N₃O₉P
• 分子量: 827.714
• InChiKey: FOEMRZVYYWNPSL-XHDWWVNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.87
• 重原子数：
  57.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  136.44
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  3'-O-tert-Butyldiphenylsilyl-2'-deoxycytidine 、 (R)-Methyl-phosphonic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-isobutyrylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester 在 3-ethyl-3-pentanoxymagnesium chloride 、 四丁基氟化铵 作用下， 生成
  参考文献：
  名称：

  Diastereoselective Synthesis of 2′-Deoxy and 2′-O-Methyl Dinucleoside (3′ 5′)-Methylphosphonates via Alkoxymagnesium Chloride-Mediated Nucleoside Coupling

  摘要：

  A diastereoselective dinucleoside methylphosphonate synthetic method that features coupling of diastereomerically pure 1,1,1,3,3,3-hexafluoro-2-propyl nucleoside-3'-O-methylphosphonate monomers with 3'-O-protected nucleoside monomers mediated by alkoxymagnesium chloride reagents is described. This synthetic method was found to be diastereospecific in the synthesis of selected 2'-deoxy dinucleoside methyphosphonates and diastereoselective in the synthesis of all sixteen 2'-O-methyl dinucleoside methylphosphonates.

  DOI：

  10.1080/07328319708001359
• 作为产物：
  描述：

  六氟异丙醇 、 5'-O-(4,4'-Dimethoxytrityl)-N4-isobutyryl-2'-deoxycytidine-3'-(N,N-diisopropyl)methylphosphonamidite 在 吡啶 、 四氮唑 、 碘 作用下， 生成 (S)-Methyl-phosphonic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-isobutyrylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester 、 (R)-Methyl-phosphonic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-isobutyrylamino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester
  参考文献：
  名称：

  Diastereoselective Synthesis of 2′-Deoxy and 2′-O-Methyl Dinucleoside (3′ 5′)-Methylphosphonates via Alkoxymagnesium Chloride-Mediated Nucleoside Coupling

  摘要：

  A diastereoselective dinucleoside methylphosphonate synthetic method that features coupling of diastereomerically pure 1,1,1,3,3,3-hexafluoro-2-propyl nucleoside-3'-O-methylphosphonate monomers with 3'-O-protected nucleoside monomers mediated by alkoxymagnesium chloride reagents is described. This synthetic method was found to be diastereospecific in the synthesis of selected 2'-deoxy dinucleoside methyphosphonates and diastereoselective in the synthesis of all sixteen 2'-O-methyl dinucleoside methylphosphonates.

  DOI：

  10.1080/07328319708001359