(6SR,9RS)-6-isopropyl-9-methyl-1,4-dithiaspiro[4.5]decane

• 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: (6SR,9RS)-6-isopropyl-9-methyl-1,4-dithiaspiro[4.5]decane
• 英文别名: dl-menthone dithiolane；(6R,9S)-9-methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
• 化学式: C₁₂H₂₂S₂
• 分子量: 230.439
• InChiKey: DNXUKZZSEGMLQQ-WDEREUQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (6SR,9RS)-6-isopropyl-9-methyl-1,4-dithiaspiro[4.5]decane 在 双氧水 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 4.0h， 以52%的产率得到(4R,5S,6S,9R)-6-isopropyl-9-methyl-1,4-dithiaspiro[4,5]decane-1,1,4-trioxide
  参考文献：
  名称：

  Asymmetrical oxidation of menthone dithiolane

  摘要：

  Asymmetrical oxidation was performed of menthone dithiolane obtained in 95-98% yield by condensation of menthone with 1,2-ethanedithiol in the presence of boron trifluoride etherate. 6-Isopropyl-9-methyl-1,4-dithiaspiro[4,5] decane-1,4-dioxide (yield 5-55%) and 6-isopropyl-9-methyl-1,4-dithiaspiro[ 4,5]-decane-1,1,4-trioxide (yield 65-70%) were synthesized. Chemical structures of compounds obtained were proved by XRD analysis, NMR and IR spectroscopy.

  DOI：

  10.1134/s1070428008070166
• 作为产物：
  描述：

  1,2-乙二硫醇 、 (+)-薄荷酮 在 三氟化硼乙醚 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 以95%的产率得到(6SR,9RS)-6-isopropyl-9-methyl-1,4-dithiaspiro[4.5]decane
  参考文献：
  名称：

  Asymmetrical oxidation of menthone dithiolane

  摘要：

  Asymmetrical oxidation was performed of menthone dithiolane obtained in 95-98% yield by condensation of menthone with 1,2-ethanedithiol in the presence of boron trifluoride etherate. 6-Isopropyl-9-methyl-1,4-dithiaspiro[4,5] decane-1,4-dioxide (yield 5-55%) and 6-isopropyl-9-methyl-1,4-dithiaspiro[ 4,5]-decane-1,1,4-trioxide (yield 65-70%) were synthesized. Chemical structures of compounds obtained were proved by XRD analysis, NMR and IR spectroscopy.

  DOI：

  10.1134/s1070428008070166

文献信息

• Asymmetrical oxidation of menthone dithiolane
  作者：A. V. Timshina、S. A. Rubtsova、M. I. Kodess、E. G. Matochkina、P. A. Slepukhin、A. V. Kuchin

  DOI：10.1134/s1070428008070166

  日期：2008.7

  Asymmetrical oxidation was performed of menthone dithiolane obtained in 95-98% yield by condensation of menthone with 1,2-ethanedithiol in the presence of boron trifluoride etherate. 6-Isopropyl-9-methyl-1,4-dithiaspiro[4,5] decane-1,4-dioxide (yield 5-55%) and 6-isopropyl-9-methyl-1,4-dithiaspiro[ 4,5]-decane-1,1,4-trioxide (yield 65-70%) were synthesized. Chemical structures of compounds obtained were proved by XRD analysis, NMR and IR spectroscopy.