trans-Δ^9,10-octalin-1,5-diol | 131375-84-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-Δ^9,10-octalin-1,5-diol
• 英文别名: (1S,5R)-1,2,3,4,5,6,7,8-octahydronaphthalene-1,5-diol
• CAS: 131375-84-3
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: OJYWTHYDZHYFNN-AOOOYVTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-Δ^9,10-octalin-1,5-diol 在 吡啶 、 间氯过氧苯甲酸 作用下， 以 苯 为溶剂， 反应 48.0h， 生成 trans Δ^9,10-epoxydecalin-1,5-diol diacetate
  参考文献：
  名称：

  The Cis and Trans Δ^9,10-Octalin-1,5-Diols

  摘要：

  An efficient preparation of the title diols has been achieved by hydride reduction of diketone 2, for which a new, convenient synthesis is described. The diols were separated by chromatography, and their configurations were assigned by NMR analysis of derivatives and confirmed by X-ray analysis of the trans diol.

  DOI：

  10.1080/00397919608003703
• 作为产物：
  描述：

  十氢萘-1,5-二酮 在 盐酸 、 氧气 、 二异丁基氢化铝 作用下， 以 异丙醇 、 甲苯 、 苯 为溶剂， 反应 480.0h， 生成 trans-Δ^9,10-octalin-1,5-diol
  参考文献：
  名称：

  The Cis and Trans Δ^9,10-Octalin-1,5-Diols

  摘要：

  An efficient preparation of the title diols has been achieved by hydride reduction of diketone 2, for which a new, convenient synthesis is described. The diols were separated by chromatography, and their configurations were assigned by NMR analysis of derivatives and confirmed by X-ray analysis of the trans diol.

  DOI：

  10.1080/00397919608003703

文献信息

• The Cis and Trans Δ^9,10-Octalin-1,5-Diols
  作者：Richard K. Hill、David L. Giberson、Shekhar L. Pendalwar、M. Gary Newton

  DOI：10.1080/00397919608003703

  日期：1996.3

  An efficient preparation of the title diols has been achieved by hydride reduction of diketone 2, for which a new, convenient synthesis is described. The diols were separated by chromatography, and their configurations were assigned by NMR analysis of derivatives and confirmed by X-ray analysis of the trans diol.