(2S)-6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol | 443361-56-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol
• CAS: 443361-56-6
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: BXOURKNXQXLKRK-AXDSSHIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  32.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S)-6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol 在 咪唑 、 高氯酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-1-(tert-Butyl-diphenyl-silanyloxy)-3,7-dimethyl-oct-6-ene-2,3-diol
  参考文献：
  名称：

  (S)-3,7-Dimethyl-2-oxo-6-octene-1,3-diol: an aggregation pheromone of the Colorado potato beetle, Leptinotarsa decemlineata (Say)

  摘要：

  (S)-3,7-Dimethyl-2-oxo-6-octene-1,3-diol has been identified as a male-produced pheromone from the Colorado potato beetle. Its gross structure was deduced from its mass and NMR spectra plus synthesis from geraniol. The absolute configuration was determined to be (S) by syntheses of both enantiomers from (R)- and (S)-linalool, respectively. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)00349-0
• 作为产物：
  描述：

  (S)-芳樟醇 在 bis(acetylacetonate)oxovanadium 叔丁基过氧化氢 作用下， 生成 (2S)-6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol
  参考文献：
  名称：

  (S)-3,7-Dimethyl-2-oxo-6-octene-1,3-diol: an aggregation pheromone of the Colorado potato beetle, Leptinotarsa decemlineata (Say)

  摘要：

  (S)-3,7-Dimethyl-2-oxo-6-octene-1,3-diol has been identified as a male-produced pheromone from the Colorado potato beetle. Its gross structure was deduced from its mass and NMR spectra plus synthesis from geraniol. The absolute configuration was determined to be (S) by syntheses of both enantiomers from (R)- and (S)-linalool, respectively. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)00349-0

文献信息

• (S)-3,7-Dimethyl-2-oxo-6-octene-1,3-diol: an aggregation pheromone of the Colorado potato beetle, Leptinotarsa decemlineata (Say)
  作者：James E Oliver、Joseph C Dickens、Thomas E Glass

  DOI：10.1016/s0040-4039(02)00349-0

  日期：2002.4

  (S)-3,7-Dimethyl-2-oxo-6-octene-1,3-diol has been identified as a male-produced pheromone from the Colorado potato beetle. Its gross structure was deduced from its mass and NMR spectra plus synthesis from geraniol. The absolute configuration was determined to be (S) by syntheses of both enantiomers from (R)- and (S)-linalool, respectively. Published by Elsevier Science Ltd.