[(3R,5S)-5-acetyloxy-1,7-bis(phenylmethoxy)heptan-3-yl] acetate | 152419-71-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(3R,5S)-5-acetyloxy-1,7-bis(phenylmethoxy)heptan-3-yl] acetate
• CAS: 152419-71-1
• 化学式: C₂₅H₃₂O₆
• 分子量: 428.525
• InChiKey: IKLWUWYHWXGCBG-PLQXJYEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [(3R,5S)-5-acetyloxy-1,7-bis(phenylmethoxy)heptan-3-yl] acetate 在 sodium hydroxide 、 phosphate buffer 作用下， 反应 48.0h， 生成 [(3S,5R)-5-hydroxy-1,7-bis(phenylmethoxy)heptan-3-yl] acetate 、
  参考文献：
  名称：

  Enzyme-catalyzed desymmetrization of meso-skipped polyols to useful chiral building blocks

  摘要：

  The biocatalytic desymmetrization, in presence of different enzymes, of two models of polyfunctionalized diols in a meso form was studied PFL was found to be the most selective enzyme with excellent results in chemical and optical yield with some of the tested substrates. The obtained chiral building block was utilized for some useful synthetic transformations toward the synthesis of natural products.

  DOI：

  10.1016/s0957-4166(00)80117-2
• 作为产物：
  描述：

  Methyl 5-hydroxy-3-oxo-7-phenylmethoxyheptanoate 在 吡啶 、 盐酸 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 三乙基硼 、 D(+)-10-樟脑磺酸 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 68.25h， 生成 [(3R,5S)-5-acetyloxy-1,7-bis(phenylmethoxy)heptan-3-yl] acetate
  参考文献：
  名称：

  Enzyme-catalyzed desymmetrization of meso-skipped polyols to useful chiral building blocks

  摘要：

  The biocatalytic desymmetrization, in presence of different enzymes, of two models of polyfunctionalized diols in a meso form was studied PFL was found to be the most selective enzyme with excellent results in chemical and optical yield with some of the tested substrates. The obtained chiral building block was utilized for some useful synthetic transformations toward the synthesis of natural products.

  DOI：

  10.1016/s0957-4166(00)80117-2