3-octylcyclohex-2-en-1-ol | 234448-88-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-octylcyclohex-2-en-1-ol
• CAS: 234448-88-5
• 化学式: C₁₄H₂₆O
• 分子量: 210.36
• InChiKey: SQTLXRQJLYKRMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-octylcyclohex-2-en-1-ol 在 lipase from Candida antarctica (Novozym) 、 diethylzinc 作用下， 以 正己烷 、 1,2-二氯乙烷 为溶剂， 反应 1.3h， 生成 Hexanoic acid (1S,2R,6R)-6-octyl-bicyclo[4.1.0]hept-2-yl ester
  参考文献：
  名称：

  Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols

  摘要：

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00099-3
• 作为产物：
  描述：

  3-octylcyclohex-2-en-1-one 在 sodium tetrahydroborate 、 cerium(III) chloride 作用下， 以 甲醇 为溶剂， 以64%的产率得到3-octylcyclohex-2-en-1-ol
  参考文献：
  名称：

  Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols

  摘要：

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00099-3

文献信息

• Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols
  作者：Jean-Pierre Barnier、Véronique Morisson、Isabelle Volle、Luis Blanco

  DOI：10.1016/s0957-4166(99)00099-3

  日期：1999.3

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.