(1S,3R)-cis-3-isobutylcyclohexanol | 87759-37-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R)-cis-3-isobutylcyclohexanol
• 英文别名: (1R,3R)-3-(2-methylpropyl)cyclohexan-1-ol
• CAS: 87759-37-3
• 化学式: C₁₀H₂₀O
• 分子量: 156.268
• InChiKey: LYHIQWAZIHHKEN-NXEZZACHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  2
• 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

• 作为产物：
  描述：

  (3R)-3-isobutylcyclohexanone 在 sodium tetrahydroborate 、 1,4-dihydronicotinamide adenine dinucleotide 、 horse liver alcohol dehydrogenase 作用下， 生成 (1S,3S)-3-isobutyl-cyclohexanol 、 Isobutyl-3-cyclohexanol-trans 、 (1S,3R)-cis-3-isobutylcyclohexanol 、 (1S,3R)-3-isobutyl-cyclohexanol
  参考文献：
  名称：

  Use of shift reagent with MTPA derivatives in19F NMR spectrocopy: IV—Determination of enantiomeric composition for a variety of secondary cycloalkanols. A survey

  摘要：

  AbstractChiral secondary cycloalkanols (monocyclic alcohols) are derivatized to the corresponding (R)‐α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid [(R)‐MTPA] esters and analysed by 19F NMR in the presence of tris(6,6,7,7,8,8,8‐heptafluoro‐2,2‐dimethyl‐3,5‐octanedionato) europium(III) [Eu(fod)3]. Using this method the enantiomeric composition can be measured for several cyclopentanols, cyclohexanols and cycloheptanols, with a variety of substitution patterns. It is shown that a mixture of four stereoisomeric cycloalkanols, such as cis and trans disubstituted alcohols, can be analysed simultaneously.

  DOI：

  10.1002/omr.1270210609

文献信息

• NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES
  申请人：Merck Patent GmbH

  公开号：US20160168090A1

  公开（公告）日：2016-06-16

  The present invention relates to indole compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.

  本发明涉及吲哚化合物及其药用可接受的组合物，用作P2X7拮抗剂，用于治疗与P2X7相关的疾病。