(2S)-1-(adamantan-1-yl)propan-2-ol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-1-(adamantan-1-yl)propan-2-ol
• 英文别名: (2S)-1-(1-adamantyl)propan-2-ol
• 化学式: C₁₃H₂₂O
• mdl: MFCD00267986
• 分子量: 194.317
• InChiKey: QWTWAILYRPEELS-TWJXAIAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  乙酸乙烯酯 、 1-(1-adamantyl)-2-propanol 在 3 A molecular sieve 、 Humicola insolens ferulic acid esterase 作用下， 反应 432.0h， 生成 (2S)-1-(adamantan-1-yl)propan-2-ol 、 (2r)-1-(Adamantan-1-yl)propan-2-ol 、 、
  参考文献：
  名称：

  Asymmetric transesterification of secondary alcohols catalyzed by feruloyl esterase from Humicola insolens

  摘要：

  A new asymmetric transesterification of secondary alcohols catalyzed by feruloyl esterase from Humicola insolens has been found. Although alcohols are not the natural substrates for this enzyme, a high R enantioselectivity was observed. Stereochemical studies showed that variations in substrate structure lead to strong variations in enantioselectivity. The highest enantioselectivities are obtained when the beta-carbon of the secondary alcohol is tertiary or quaternary. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2005.05.002

文献信息

• Asymmetric transesterification of secondary alcohols catalyzed by feruloyl esterase from Humicola insolens
  作者：Nikos S. Hatzakis、Ioulia Smonou

  DOI：10.1016/j.bioorg.2005.05.002

  日期：2005.8

  A new asymmetric transesterification of secondary alcohols catalyzed by feruloyl esterase from Humicola insolens has been found. Although alcohols are not the natural substrates for this enzyme, a high R enantioselectivity was observed. Stereochemical studies showed that variations in substrate structure lead to strong variations in enantioselectivity. The highest enantioselectivities are obtained when the beta-carbon of the secondary alcohol is tertiary or quaternary. (c) 2005 Elsevier Inc. All rights reserved.