Phosphoric acid (3aS,4S,4aR,7aR,8R,8aS)-8-(diethoxy-phosphoryloxy)-2,2,6,6-tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-4-yl ester diethyl ester | 208584-68-3

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: Phosphoric acid (3aS,4S,4aR,7aR,8R,8aS)-8-(diethoxy-phosphoryloxy)-2,2,6,6-tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-4-yl ester diethyl ester
• CAS: 208584-68-3
• 化学式: C₂₀H₃₈O₁₂P₂
• 分子量: 532.462
• InChiKey: VFOYQDYHGXFLQZ-COYYTBTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  34.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  126.44
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  Phosphoric acid (3aS,4S,4aR,7aR,8R,8aS)-8-(diethoxy-phosphoryloxy)-2,2,6,6-tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-4-yl ester diethyl ester 在 sodium hydroxide 、 三甲基溴硅烷 、 水 作用下， 生成
  参考文献：
  名称：

  Syntheses of All Regioisomers ofMyo-Inositol Bisphosphate

  摘要：

  All possible nine regioisomers of myo-inositol bisphosphate were synthesized using various isopropylidene and benzoyl inositol derivatives as intermediates. These intermediates were successfully phosphorylated with diethyl chlorophosphite followed by oxidation. Selective diphosphorylations on several IBz(3) intermediates were also examined as possible routes to IP(2)s. All of the protecting groups were easily removed in a one-pot procedure to give the sodium salts of the title compounds, IP2 regioisomers.

  DOI：

  10.1080/07328309808002898
• 作为产物：
  描述：

  2-O-benzoyl-myo-inositol 在 双氧水 、 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.33h， 生成 Phosphoric acid (3aS,4S,4aR,7aR,8R,8aS)-8-(diethoxy-phosphoryloxy)-2,2,6,6-tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxol-4-yl ester diethyl ester
  参考文献：
  名称：

  Syntheses of All Regioisomers ofMyo-Inositol Bisphosphate

  摘要：

  All possible nine regioisomers of myo-inositol bisphosphate were synthesized using various isopropylidene and benzoyl inositol derivatives as intermediates. These intermediates were successfully phosphorylated with diethyl chlorophosphite followed by oxidation. Selective diphosphorylations on several IBz(3) intermediates were also examined as possible routes to IP(2)s. All of the protecting groups were easily removed in a one-pot procedure to give the sodium salts of the title compounds, IP2 regioisomers.

  DOI：

  10.1080/07328309808002898