(1R,4aR,8aS)-1,2,3,4,4a,5,8-heptahydro-6,8a-dimethylnaphthalen-1-yl acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1R,4aR,8aS)-1,2,3,4,4a,5,8-heptahydro-6,8a-dimethylnaphthalen-1-yl acetate
• 英文别名: [(1R,4aR,8aS)-6,8a-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl] acetate
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: AVKXPRJKCGZZLF-MCIONIFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6,8a-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one 在 Candida antarctica lipase 、 sodium tetrahydroborate 作用下， 以 甲醇 、 正己烷 为溶剂， 反应 25.0h， 生成 (1R,4aR,8aS)-1,2,3,4,4a,5,8-heptahydro-6,8a-dimethylnaphthalen-1-yl acetate
  参考文献：
  名称：

  Highly enantioselective enzymatic resolution of cis-fused octalols mediated by Candida antarctica lipase (Novozym 435)

  摘要：

  Optically active cis-fused octalin acetates have been prepared by esterification of cis-fused octalols using Candida antarctica lipase (CALB-Novozym 435). The enzyme efficiently resolved the racemic octalols by kinetic resolution, to afford cis-fused octalols and cis-fused octalin acetates with high enantiomeric excesses (up to > 99%) and good yields (> 40%). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.07.014

文献信息

• Highly enantioselective enzymatic resolution of cis-fused octalols mediated by Candida antarctica lipase (Novozym 435)
  作者：Tiago O. Vieira、Helena M.C. Ferraz、Leandro H. Andrade、André L.M. Porto

  DOI：10.1016/j.tetasy.2006.07.014

  日期：2006.8

  Optically active cis-fused octalin acetates have been prepared by esterification of cis-fused octalols using Candida antarctica lipase (CALB-Novozym 435). The enzyme efficiently resolved the racemic octalols by kinetic resolution, to afford cis-fused octalols and cis-fused octalin acetates with high enantiomeric excesses (up to > 99%) and good yields (> 40%). (c) 2006 Elsevier Ltd. All rights reserved.