3,3,5,5-tetramethyl-1-(phenylethynyl)cyclohexan-1-ol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,5,5-tetramethyl-1-(phenylethynyl)cyclohexan-1-ol
• 英文别名: 3,3,5,5-tetramethyl-1-(2-phenylethynyl)cyclohexan-1-ol
• 化学式: C₁₈H₂₄O
• 分子量: 256.388
• InChiKey: FNFHLZXJFSNDMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3,3,5,5-tetramethyl-1-(phenylethynyl)cyclohexan-1-ol 在 甲酸 作用下， 反应 3.0h， 以34%的产率得到1-(1-oxo-2-phenylethyl)-3,3,5,5-tetramethyl-1-cyclohexene
  参考文献：
  名称：

  Efficient routes to cyclic 2,3-epoxyalcohols from cycloalkenyl ketones, via cycloalkenyl alcohols

  摘要：

  The minimising of torsional strain and non-bonding interactions is proposed as the explanation of high diastereoselectivity observed in the epoxidation of cycloalkenyl alcohols. reported for twenty three examples. The resulting 2,3-epoxyalcohols are key intermediates in the synthesis of tricyclic 1, 2-diols and beta-hydroxy ketones

  DOI：

  10.1016/s0040-4020(01)80560-3
• 作为产物：
  描述：

  3,3,5,5-四甲基环己酮 、 苯乙炔 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以60%的产率得到3,3,5,5-tetramethyl-1-(phenylethynyl)cyclohexan-1-ol
  参考文献：
  名称：

  Efficient routes to cyclic 2,3-epoxyalcohols from cycloalkenyl ketones, via cycloalkenyl alcohols

  摘要：

  The minimising of torsional strain and non-bonding interactions is proposed as the explanation of high diastereoselectivity observed in the epoxidation of cycloalkenyl alcohols. reported for twenty three examples. The resulting 2,3-epoxyalcohols are key intermediates in the synthesis of tricyclic 1, 2-diols and beta-hydroxy ketones

  DOI：

  10.1016/s0040-4020(01)80560-3

文献信息

• Efficient routes to cyclic 2,3-epoxyalcohols from cycloalkenyl ketones, via cycloalkenyl alcohols
  作者：Charles M. Marson、Andrew J. Walker、Jane Pickering、Steven Harper、Roger Wrigglesworth、Simon J. Edge

  DOI：10.1016/s0040-4020(01)80560-3

  日期：1993.1

  The minimising of torsional strain and non-bonding interactions is proposed as the explanation of high diastereoselectivity observed in the epoxidation of cycloalkenyl alcohols. reported for twenty three examples. The resulting 2,3-epoxyalcohols are key intermediates in the synthesis of tricyclic 1, 2-diols and beta-hydroxy ketones