5-benzyloxymethyl-5,9-dimethyl-13β,14α-diethoxycarbonyl-16-isopropyltetracyclo[10.2.2.0^1,10.0^4,9]hexadec-15-ene | 403984-32-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-benzyloxymethyl-5,9-dimethyl-13β,14α-diethoxycarbonyl-16-isopropyltetracyclo[10.2.2.0^1,10.0^4,9]hexadec-15-ene
• 英文别名: diethyl (1S,4R,5R,9R,10R,12R,13S,14R)-5,9-dimethyl-5-(phenylmethoxymethyl)-16-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-13,14-dicarboxylate
• CAS: 403984-32-7
• 化学式: C₃₅H₅₀O₅
• 分子量: 550.779
• InChiKey: KNVYELJLVKHJLJ-UKKNLVHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-benzyloxymethyl-5,9-dimethyl-13β,14α-diethoxycarbonyl-16-isopropyltetracyclo[10.2.2.0^1,10.0^4,9]hexadec-15-ene 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 20.0h， 生成 5-benzyloxymethyl-13β,14α-ditosyloxymethyl-5,9-dimethyl-16-isopropyltetracyclo[10.2.2.0^1,10.0^4.9]hexadec-15-ene
  参考文献：
  名称：

  摘要：

  Starting with maleopimaric and fumaropimaric acids were prepared chiral organophosphorus ligands from decahydrophenanthrene series. Cationic complexes of Rh(I) prepared therefrom were tested for catalysts of asymmetric hydrogenation of unsaturated precursors of N-acethylphenylalanine and its derivatives.

  DOI：

  10.1023/a:1013144431609
• 作为产物：
  描述：

  富马酸二乙酯 、 (1R,4aR,4bS,10aR)-1-Benzyloxymethyl-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydro-phenanthrene 反应 4.0h， 以3.2 g的产率得到5-benzyloxymethyl-5,9-dimethyl-13β,14α-diethoxycarbonyl-16-isopropyltetracyclo[10.2.2.0^1,10.0^4,9]hexadec-15-ene
  参考文献：
  名称：

  摘要：

  Starting with maleopimaric and fumaropimaric acids were prepared chiral organophosphorus ligands from decahydrophenanthrene series. Cationic complexes of Rh(I) prepared therefrom were tested for catalysts of asymmetric hydrogenation of unsaturated precursors of N-acethylphenylalanine and its derivatives.

  DOI：

  10.1023/a:1013144431609