<4R-<4α,6α(1αS*,2α,6β)>>-<6-<2-(2-Methyl-5-methylene-6-phenyl-3-cyclohexen-1-yl)ethyl>-2,2-dimethyl-1,3-dioxan-4-yl>ethanoic acid | 165605-96-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: <4R-<4α,6α(1αS*,2α,6β)>>-<6-<2-(2-Methyl-5-methylene-6-phenyl-3-cyclohexen-1-yl)ethyl>-2,2-dimethyl-1,3-dioxan-4-yl>ethanoic acid
• 英文别名: 2-[(4R,6R)-2,2-dimethyl-6-[2-[(1S,2S,6R)-2-methyl-5-methylidene-6-phenylcyclohex-3-en-1-yl]ethyl]-1,3-dioxan-4-yl]acetic acid
• CAS: 165605-96-9
• 化学式: C₂₄H₃₂O₄
• 分子量: 384.516
• InChiKey: VEKYALXGEFKNKW-ZDHOGDLYSA-N

物化性质

• 沸点：
  523.3±40.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 <4R-<4α,6α(1αS*,2α,6β)>>-<6-<2-(2-Methyl-5-methylene-6-phenyl-3-cyclohexen-1-yl)ethyl>-2,2-dimethyl-1,3-dioxan-4-yl>ethanoic acid 以 乙醚 为溶剂， 以79%的产率得到Methyl <4R-<4α,6α(1αS*,2α,6β)>>-<6-<2-(2-methyl-5-methylene-6-phenyl-3-cyclohexen-1-yl)ethyl>-2,2-dimethyl-1,3-dioxan-4-yl>ethanoate
  参考文献：
  名称：

  Preparation of a Semisynthetic Analog of Mevinolin and Compactin

  摘要：

  Enone 5, derived by chemical degradation of compactin (1), was elaborated into the semisynthetic analogue 4, which is an inhibitor of cholesterol biosynthesis in rat liver microsomes.

  DOI：

  10.1021/jo00122a037
• 作为产物：
  描述：

  <4R-<4α,6α(1αS*,2α,6β)>>-<6-<2-(2-Methyl-5-methylene-6-phenyl-3-cyclohexen-1-yl)ethyl>-2,2-dimethyl-1,3-dioxan-4-yl>ethanal 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 作用下， 以 叔丁醇 为溶剂， 以94%的产率得到<4R-<4α,6α(1αS*,2α,6β)>>-<6-<2-(2-Methyl-5-methylene-6-phenyl-3-cyclohexen-1-yl)ethyl>-2,2-dimethyl-1,3-dioxan-4-yl>ethanoic acid
  参考文献：
  名称：

  Preparation of a Semisynthetic Analog of Mevinolin and Compactin

  摘要：

  Enone 5, derived by chemical degradation of compactin (1), was elaborated into the semisynthetic analogue 4, which is an inhibitor of cholesterol biosynthesis in rat liver microsomes.

  DOI：

  10.1021/jo00122a037