(S)-2-Methyl-butyric acid (1S,3R,4S,4aR,7S,8S,8aS)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-4,4a-bis-trimethylsilanyloxy-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl ester | 85614-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: (S)-2-Methyl-butyric acid (1S,3R,4S,4aR,7S,8S,8aS)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-4,4a-bis-trimethylsilanyloxy-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl ester
• CAS: 85614-21-7
• 化学式: C₃₆H₆₈O₇Si₃
• 分子量: 697.188
• InChiKey: ACZBYSPGRBTDNZ-KNFJAJJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.11
• 重原子数：
  46.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  80.29
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-2-Methyl-butyric acid (1S,3R,4S,4aR,7S,8S,8aS)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-4,4a-bis-trimethylsilanyloxy-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl ester 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 7.0h， 生成 6(R)-<2-<1,2,3,4,6,7,8,8a(R)-Octahydro-2(R),6(R)-dimethyl-8(S)-<<2(S)-methylbutyryl>oxy>-3,4-cyclopropano-1(S)-naphthyl>ethyl>-3,4,5,6-tetrahydro-4(R)-hydroxy-2H-pyran-2-one
  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：

  (S)-2-Methyl-butyric acid (1S,3R,4S,4aR,5S,6S,7R,8S,8aS)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-4,4a,5,6-tetrahydroxy-3,7-dimethyl-decahydro-naphthalen-1-yl ester 在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 (S)-2-Methyl-butyric acid (1S,3R,4S,4aR,7S,8S,8aS)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-4,4a-bis-trimethylsilanyloxy-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-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