(1S,3aS,5R,6R,7aR)-1-(tert-Butyl-dimethyl-silanyloxymethyl)-3a-methyl-hexahydro-3-oxa-1,6-cyclo-indene-5,7a-diol | 148808-28-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: (1S,3aS,5R,6R,7aR)-1-(tert-Butyl-dimethyl-silanyloxymethyl)-3a-methyl-hexahydro-3-oxa-1,6-cyclo-indene-5,7a-diol
• 英文别名: (1R,3R,4R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-7-oxatricyclo[4.3.0.03,9]nonane-1,4-diol
• CAS: 148808-28-0
• 化学式: C₁₆H₃₀O₄Si
• 分子量: 314.497
• InChiKey: SUUOBJKILVLSTI-URLPEUOOSA-N

物化性质

• 沸点：
  393.5±42.0 °C(predicted)
• 密度：
  1.150±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸 、 (1S,3aS,5R,6R,7aR)-1-(tert-Butyl-dimethyl-silanyloxymethyl)-3a-methyl-hexahydro-3-oxa-1,6-cyclo-indene-5,7a-diol 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (1S,3aS,5R,6R,7aR)-1-(tert-butyl-dimethyl-silanyloxymethyl)-7a-hydroxy-3a-methyl-octahydro-3-oxa-1,6-cyclo-inden-5-yl ester
  参考文献：
  名称：

  Absolute stereostructures of paeonisuffrone and paeonisuffral, two new labile monoterpenes, from Chinese Moutan Cortex.

  摘要：

  Two new labile monoterpenes named paeonisuffrone and paeonisuffral were isolated from Chinese Moutan Cortex, the dried root of Paeonia suffruticosa ANDREWS. The absolute stereostructures of peaonisuffrone and paeonisuffral were elucidated on the basis of chemical and physicochemical evidence which included the application of a modified Mosher's method and lipase catalyzed debenzoylation.

  DOI：

  10.1248/cpb.41.630
• 作为产物：
  描述：

  叔丁基二甲基氯硅烷 、 paeonisuffrone 在 咪唑 、 sodium tetrahydroborate 作用下， 生成 (1S,3aS,5R,6R,7aR)-1-(tert-Butyl-dimethyl-silanyloxymethyl)-3a-methyl-hexahydro-3-oxa-1,6-cyclo-indene-5,7a-diol
  参考文献：
  名称：

  Absolute stereostructures of paeonisuffrone and paeonisuffral, two new labile monoterpenes, from Chinese Moutan Cortex.

  摘要：

  Two new labile monoterpenes named paeonisuffrone and paeonisuffral were isolated from Chinese Moutan Cortex, the dried root of Paeonia suffruticosa ANDREWS. The absolute stereostructures of peaonisuffrone and paeonisuffral were elucidated on the basis of chemical and physicochemical evidence which included the application of a modified Mosher's method and lipase catalyzed debenzoylation.

  DOI：

  10.1248/cpb.41.630