cis-2-Methyl-cycloheptanol | 87759-69-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-2-Methyl-cycloheptanol
• 英文别名: (1S,2R)-2-methylcycloheptan-1-ol
• CAS: 87759-69-1
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: CVEWSZALSLGZAU-SFYZADRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• 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

• 作为反应物：
  描述：

  cis-2-Methyl-cycloheptanol 在 chromium(VI) oxide 、 硫酸 作用下， 以73%的产率得到(-)-(R)-2-methylcycloheptanone
  参考文献：
  名称：

  Dynamic kinetic resolution in the microbial reduction of α-monosubstituted β-oxoesters: the reduction of 2-carbethoxycycloheptanone and 2-carbethoxy-cyclooctanone

  摘要：

  The microbial reduction of the title compounds by various yeasts or filamentous fungi strains affords the corresponding (1S,2R)- and/or (1S,2S)-hydroxyesters in good yield and ee. The determination of their absolute configuration was achieved by transformation into known 2-methylcycloalkanone stereoisomers. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00171-7
• 作为产物：
  描述：

  ethyl (1R,2S)-2-hydroxycycloheptanecarboxylate 在 lithium aluminium tetrahydride 作用下， 生成 cis-2-Methyl-cycloheptanol
  参考文献：
  名称：

  Dynamic kinetic resolution in the microbial reduction of α-monosubstituted β-oxoesters: the reduction of 2-carbethoxycycloheptanone and 2-carbethoxy-cyclooctanone

  摘要：

  The microbial reduction of the title compounds by various yeasts or filamentous fungi strains affords the corresponding (1S,2R)- and/or (1S,2S)-hydroxyesters in good yield and ee. The determination of their absolute configuration was achieved by transformation into known 2-methylcycloalkanone stereoisomers. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00171-7