(S)-1,2,3,4-tetrahydro-6-methyl-7-methoxynaphthalen-1-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (S)-1,2,3,4-tetrahydro-6-methyl-7-methoxynaphthalen-1-ol
• 英文别名: (1S)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: KRHGYKLPDFONPY-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-1,2,3,4-tetrahydro-6-methyl-7-methoxynaphthalen-1-ol 、 乙酸酐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 反应 1.0h， 生成 (S)-1,2,3,4-tetrahydro-6-methyl-7-methoxynaphthalen-1-yl acetate
  参考文献：
  名称：

  Enzymatic resolution of α-tetralols by CALB-catalyzed acetylation

  摘要：

  A series of homochiral alpha-tetralols, as well as their respective acetates, has been obtained by esterification of racemic tetralols, using Candida antarctica lipase (CALB-Novozym(R) 435) as the biocatalyst. This enzyme is shown to be highly efficient for the kinetic resolution of the substrates studied, affording the (+)-tetralols and the (+)-acetates in excellent enantiomeric excess (up to >99%) and very good yields (>40%). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.05.007
• 作为产物：
  描述：

  2-甲基苯甲醚 在 盐酸 、 Candida antarctica lipase B 、 sodium tetrahydroborate 、 三氯化铝 、 汞 、 三氟乙酸酐 、 锌 作用下， 以 甲醇 、 正己烷 、 硝基苯 、 甲苯 、 三氟乙酸 为溶剂， 反应 78.17h， 生成 (S)-1,2,3,4-tetrahydro-6-methyl-7-methoxynaphthalen-1-ol
  参考文献：
  名称：

  Enzymatic resolution of α-tetralols by CALB-catalyzed acetylation

  摘要：

  A series of homochiral alpha-tetralols, as well as their respective acetates, has been obtained by esterification of racemic tetralols, using Candida antarctica lipase (CALB-Novozym(R) 435) as the biocatalyst. This enzyme is shown to be highly efficient for the kinetic resolution of the substrates studied, affording the (+)-tetralols and the (+)-acetates in excellent enantiomeric excess (up to >99%) and very good yields (>40%). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.05.007