2,6-dihydroxy-tricyclo<3.3.1.1^3,7>decane | 25106-97-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6-dihydroxy-tricyclo<3.3.1.1^3,7>decane
• 英文别名: 2,6-adamantanediol
• CAS: 25106-97-2；76250-83-4；105229-11-6；105307-12-8
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: MJHGVORZDBZFTH-HMELBQQSSA-N

物化性质

• 熔点：
  344 °C
• 沸点：
  318.2±10.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.77
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,6-dihydroxy-tricyclo<3.3.1.1^3,7>decane 、 乙酸酐 在 吡啶 作用下， 生成 2,6-diacetoxyadamantane
  参考文献：
  名称：

  Substituent effects on carbon-13 chemical shifts in 2,6-disubstituted adamantanes

  摘要：

  AbstractCarbon‐13 NMR spectral data for a series of symmetrical 2,6‐disubstituted adamantanes (O, CH2, CH3, OH, OCOCH3) are presented. The substituent effects on 13C chemical shifts are additive, except for carbons 2 and 6 in 2,6‐adamantanedione. The non‐additivity of the substituent effect in the diketone can be interpreted in terms of a through‐space interaction of the carbonyl π‐electrons; the additivity in the other derivatives indicates that there is no appreciable interaction between the substituents.

  DOI：

  10.1002/mrc.1270170305
• 作为产物：
  描述：

  2,6-金刚烷二酮 在 lithium aluminium tetrahydride 作用下， 生成 2,6-dihydroxy-tricyclo<3.3.1.1^3,7>decane
  参考文献：
  名称：

  Substituent effects on carbon-13 chemical shifts in 2,6-disubstituted adamantanes

  摘要：

  AbstractCarbon‐13 NMR spectral data for a series of symmetrical 2,6‐disubstituted adamantanes (O, CH2, CH3, OH, OCOCH3) are presented. The substituent effects on 13C chemical shifts are additive, except for carbons 2 and 6 in 2,6‐adamantanedione. The non‐additivity of the substituent effect in the diketone can be interpreted in terms of a through‐space interaction of the carbonyl π‐electrons; the additivity in the other derivatives indicates that there is no appreciable interaction between the substituents.

  DOI：

  10.1002/mrc.1270170305

文献信息

• Hawkins, Stephen C.; Scudder, Marcia L.; Craig, Donald C., Journal of the Chemical Society. Perkin transactions II, 1990, # 6, p. 855 - 870
  作者：Hawkins, Stephen C.、Scudder, Marcia L.、Craig, Donald C.、Rae, A. David、Raof, Razman B. Abdul、et al.

  DOI：——

  日期：——