(1,2:4,5)-di-O-isopropylidene-scyllo-inositol 3,6-bis(diethyl phosphate) | 261617-69-0

• 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: (1,2:4,5)-di-O-isopropylidene-scyllo-inositol 3,6-bis(diethyl phosphate)
• CAS: 261617-69-0
• 化学式: C₂₀H₃₈O₁₂P₂
• 分子量: 532.462
• InChiKey: VFOYQDYHGXFLQZ-HKCPWHJYSA-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：

  (1,2:4,5)-di-O-isopropylidene-scyllo-inositol 3,6-bis(diethyl phosphate) 在 三甲基溴硅烷 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到sodium salt of scyllo-inositol 1,4-biphosphate
  参考文献：
  名称：

  Synthesis of all possible regioisomers of scyllo-Inositol phosphate

  摘要：

  scyllo-Inositol is the all equatorial stereoisomer of myo-inositol. All possible 12 regioisomers of scyllo-inositol phosphate were synthesized for the first time via a scyllo-inositol benzoate intermediate, which was derived from a myo-inositol derivative. The stereoinversion of myo-inositol into scyllo-inositol was accomplished by Mitsunobu reaction of the vicinal cis-diol. The requisite intermediates, scyllo-inositol benzoates were obtained by benzoyl migration or random benzoylation, and phosphorylated to give scyllo-IPn. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00183-2
• 作为产物：
  描述：

  3,4,5,6-tetra-O-benzyl inositol 在 palladium dihydroxide 氢气 、 sodium methylate 、 对甲苯磺酸 、 N,N-二异丙基乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 20.0~80.0 ℃ 、344.74 kPa 条件下， 反应 64.0h， 生成 (1,2:4,5)-di-O-isopropylidene-scyllo-inositol 3,6-bis(diethyl phosphate)
  参考文献：
  名称：

  Synthesis of all possible regioisomers of scyllo-Inositol phosphate

  摘要：

  scyllo-Inositol is the all equatorial stereoisomer of myo-inositol. All possible 12 regioisomers of scyllo-inositol phosphate were synthesized for the first time via a scyllo-inositol benzoate intermediate, which was derived from a myo-inositol derivative. The stereoinversion of myo-inositol into scyllo-inositol was accomplished by Mitsunobu reaction of the vicinal cis-diol. The requisite intermediates, scyllo-inositol benzoates were obtained by benzoyl migration or random benzoylation, and phosphorylated to give scyllo-IPn. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00183-2