(S)-2-Methyl-butyric acid (1aS,2R,4S,4aR,5S,6R,7S,8R,8aR)-5-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-7,8-dihydroxy-2,6-dimethyl-decahydro-cyclopropa[d]naphthalen-4-yl ester | 85614-15-9

• 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: (S)-2-Methyl-butyric acid (1aS,2R,4S,4aR,5S,6R,7S,8R,8aR)-5-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-7,8-dihydroxy-2,6-dimethyl-decahydro-cyclopropa[d]naphthalen-4-yl ester
• CAS: 85614-15-9
• 化学式: C₃₁H₅₄O₇Si
• 分子量: 566.851
• InChiKey: NLYIPOVCFLZPTL-XSVUMEPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.47
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  102.29
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-2-Methyl-butyric acid (1aS,2R,4S,4aR,5S,6R,7S,8R,8aR)-5-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-7,8-dihydroxy-2,6-dimethyl-decahydro-cyclopropa[d]naphthalen-4-yl ester 在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 121.0h， 生成 (S)-2-Methyl-butyric acid (1aS,2R,4S,4aR,5S,6S,8aR)-5-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-2,6-dimethyl-1,1a,2,3,4,4a,5,6-octahydro-cyclopropa[d]naphthalen-4-yl ester
  参考文献：
  名称：

  Reductive transformation and cyclopropanation of mevinolin (6.alpha.-methylcompactin). Generation of chirality in the 1,4-hydrostannation of a cyclic diene

  摘要：

  DOI：

  10.1021/jo00160a010
• 作为产物：
  描述：

  二碘甲烷 、 6(R)-(2-(1,2,3,4,6,7,8,8a(R)-Octahydro-2(R),6(R)-dimethyl-8(S)-((2(S)-methylbutyryl)oxy)-3(S),4(R)-dihydroxy-1(S)-naphthyl)ethyl)-3,4,5,6-tetrahydro-4(R)-((tert-butyldimethylsilyl)oxy)-2H-pyran-2-one 在 铜 、 锌 作用下， 以 乙醚 为溶剂， 反应 24.0h， 以175 mg的产率得到(S)-2-Methyl-butyric acid (1aS,2R,4S,4aR,5S,6R,7S,8R,8aR)-5-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-7,8-dihydroxy-2,6-dimethyl-decahydro-cyclopropa[d]naphthalen-4-yl ester
  参考文献：
  名称：

  Reductive transformation and cyclopropanation of mevinolin (6.alpha.-methylcompactin). Generation of chirality in the 1,4-hydrostannation of a cyclic diene

  摘要：

  DOI：

  10.1021/jo00160a010