(R)-6-Ethyl-octan-4-ol | 1821824-73-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-6-Ethyl-octan-4-ol
• 英文别名: 4-Octanol, 6-ethyl-, (4R)-；(4R)-6-ethyloctan-4-ol
• CAS: 1821824-73-0
• 化学式: C₁₀H₂₂O
• 分子量: 158.284
• InChiKey: ZHPJIXPOHJNPFZ-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• 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 、 (+/-)-6-ethyloctan-4-ol 在 molecular sieve 、 lipase B from Candida antarctica 作用下， 以 1,4-二氧六环 为溶剂， 反应 163.0h， 生成 (R)-6-Ethyl-octan-4-ol 、 (S)-6-Ethyl-octan-4-ol 、 Acetic acid (S)-3-ethyl-1-propyl-pentyl ester 、 Acetic acid (R)-3-ethyl-1-propyl-pentyl ester
  参考文献：
  名称：

  Study of the enantioselectivity of the CAL-B-catalysed transesterification of α-substituted α-propylmethanols and α-substituted benzyl alcohols

  摘要：

  A study of the enantioselectivity exhibited by the lipase B from Candida antarctica in the transesterification of different alpha-substituted alpha-propylmethanols with vinyl acetate is shown. The best results are obtained when the large-sized (L) substituent of the alcohol is either a phenyl group or more especially a cyclohexyl group, although the reaction rates are lower than when linear or slightly branched groups are present. It is also found that ramification at the beta-position of the L substituent has a deleterious effect on both lipase activity and enantioselectivity. Moreover, some alpha-substituted benzyl alcohols bearing medium-sized (M) substituents larger than an ethyl and smaller than a propyl group are resolved by means of this methodology with moderate-good enantioselectivities (E=46-57) and similar reaction rates. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00532-8